6429375
  DSViewer          3D                             0

 42 42  0  0  0  0  0  0  0  0999 V2000
    1.6999   -0.4519    1.1987 O   0  0  0  0  0  0  0  0  0  1
    6.0883    1.4206    0.2413 C   0  0  2  0  0  0  0  0  0  2
    6.4253    2.8364   -0.2619 C   0  0  0  0  0  0  0  0  0  3
    7.1121    0.3565   -0.4697 C   0  0  0  0  0  0  0  0  0  4
    2.4233    0.1509    0.1292 C   0  0  2  0  0  0  0  0  0  5
    7.1651   -1.2055    0.0317 C   0  0  0  0  0  0  0  0  0  6
    4.6588    1.1753   -0.1666 C   0  0  0  0  0  0  0  0  0  7
    2.5949   -0.9085   -1.0995 C   0  0  0  0  0  0  0  0  0  8
    3.7585    0.6659    0.6739 C   0  0  0  0  0  0  0  0  0  9
    3.5040   -2.2039   -0.8318 C   0  0  0  0  0  0  0  0  0 10
    5.8977   -2.0785   -0.0645 C   0  0  0  0  0  0  0  0  0 11
    7.8746    3.1913    0.1163 C   0  0  0  0  0  0  0  0  0 12
    6.2593    2.9078   -1.7935 C   0  0  0  0  0  0  0  0  0 13
    4.8964   -1.6696   -0.8038 C   0  0  0  0  0  0  0  0  0 14
    1.6166    1.3470   -0.4122 C   0  0  0  0  0  0  0  0  0 15
    5.7728   -3.3010    0.8084 C   0  0  0  0  0  0  0  0  0 16
    6.2062    1.3771    1.3321 H   0  0  0  0  0  0  0  0  0 17
    5.7390    3.5545    0.2122 H   0  0  0  0  0  0  0  0  0 18
    6.8563    0.3364   -1.5291 H   0  0  0  0  0  0  0  0  0 19
    8.1174    0.7591   -0.3457 H   0  0  0  0  0  0  0  0  0 20
    7.9366   -1.7013   -0.5575 H   0  0  0  0  0  0  0  0  0 21
    7.4611   -1.1915    1.0807 H   0  0  0  0  0  0  0  0  0 22
    4.3508    1.4226   -1.1825 H   0  0  0  0  0  0  0  0  0 23
    1.5990   -1.2580   -1.3720 H   0  0  0  0  0  0  0  0  0 24
    3.0333   -0.3685   -1.9387 H   0  0  0  0  0  0  0  0  0 25
    3.9713    0.6161    1.7417 H   0  0  0  0  0  0  0  0  0 26
    3.2477   -2.6665    0.1212 H   0  0  0  0  0  0  0  0  0 27
    3.3852   -2.9326   -1.6337 H   0  0  0  0  0  0  0  0  0 28
    8.1089    4.1938   -0.2417 H   0  0  0  0  0  0  0  0  0 29
    8.5561    2.4741   -0.3414 H   0  0  0  0  0  0  0  0  0 30
    7.9865    3.1576    1.2000 H   0  0  0  0  0  0  0  0  0 31
    6.5000    3.9131   -2.1390 H   0  0  0  0  0  0  0  0  0 32
    5.2293    2.6697   -2.0593 H   0  0  0  0  0  0  0  0  0 33
    6.9310    2.1912   -2.2661 H   0  0  0  0  0  0  0  0  0 34
    5.1058   -0.8399   -1.4789 H   0  0  0  0  0  0  0  0  0 35
    2.1636    1.8139   -1.2312 H   0  0  0  0  0  0  0  0  0 36
    1.4658    2.0750    0.3849 H   0  0  0  0  0  0  0  0  0 37
    0.6488    0.9993   -0.7740 H   0  0  0  0  0  0  0  0  0 38
    4.8212   -3.7940    0.6101 H   0  0  0  0  0  0  0  0  0 39
    5.8168   -3.0055    1.8567 H   0  0  0  0  0  0  0  0  0 40
    6.5901   -3.9886    0.5906 H   0  0  0  0  0  0  0  0  0 41
    0.8138   -0.7438    0.8688 H   0  0  0  0  0  0  0  0  0 42
  5  1  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  7  1  0  0  0
  2 17  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  5 15  1  0  0  0
  6 11  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  9  2  0  0  0
  7 23  1  0  0  0
  8 10  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 26  1  0  0  0
 10 14  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 14  2  0  0  0
 11 16  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6429375

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgABAIAAQAAUAAEgAAIEAMAgEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2E,4S,7E)-4-isopropyl-1,7-dimethyl-cyclodeca-2,7-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2E,4S,7E)-1,7-dimethyl-4-propan-2-yl-1-cyclodeca-2,7-dienol

> <PUBCHEM_IUPAC_NAME>
(1R,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2E,4S,7E)-1,7-dimethyl-4-propan-2-yl-cyclodeca-2,7-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2E,4S,7E)-4-isopropyl-1,7-dimethyl-cyclodeca-2,7-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+/t14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RHCTXHCNRLCYBN-QPDMSNBJSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC(C=CC(CC1)C(C)C)(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC[C@@](/C=C/[C@@H](CC1)C(C)C)(C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  1  5
2  3  6

$$$$