441245
  DSViewer          3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.8688    0.2961    1.3201 O   0  0  0  0  0  0  0  0  0  1
    6.1299    1.0272    0.2804 C   0  0  3  0  0  0  0  0  0  2
    6.2603   -0.4777    0.2547 C   0  0  3  0  0  0  0  0  0  3
    4.6054    1.4158    0.4383 C   0  0  0  0  0  0  0  0  0  4
    4.9281   -1.1475    0.5695 C   0  0  0  0  0  0  0  0  0  5
    3.8928   -0.8112   -0.5290 C   0  0  2  0  0  0  0  0  0  6
    3.9290    0.7360   -0.7796 C   0  0  0  0  0  0  0  0  0  7
    6.9209    1.6243   -0.9022 C   0  0  0  0  0  0  0  0  0  8
    2.5606   -1.3156   -0.0131 C   0  0  0  0  0  0  0  0  0  9
    1.4209   -0.3671    0.2558 C   0  0  0  0  0  0  0  0  0 10
    2.3788   -2.6223    0.1615 C   0  0  0  0  0  0  0  0  0 11
    6.8624   -0.8060   -0.6045 H   0  0  0  0  0  0  0  0  0 12
    4.2004    1.0303    1.3740 H   0  0  0  0  0  0  0  0  0 13
    4.4738    2.4973    0.4031 H   0  0  0  0  0  0  0  0  0 14
    5.0690   -2.2274    0.6137 H   0  0  0  0  0  0  0  0  0 15
    4.5625   -0.7885    1.5316 H   0  0  0  0  0  0  0  0  0 16
    4.1521   -1.3512   -1.4502 H   0  0  0  0  0  0  0  0  0 17
    2.9129    1.1136   -0.8939 H   0  0  0  0  0  0  0  0  0 18
    4.5001    0.9487   -1.6833 H   0  0  0  0  0  0  0  0  0 19
    6.2343    2.1307   -1.5805 H   0  0  0  0  0  0  0  0  0 20
    7.4351    0.8252   -1.4364 H   0  0  0  0  0  0  0  0  0 21
    7.6528    2.3392   -0.5264 H   0  0  0  0  0  0  0  0  0 22
    0.5593   -0.9273    0.6188 H   0  0  0  0  0  0  0  0  0 23
    1.1545    0.1520   -0.6649 H   0  0  0  0  0  0  0  0  0 24
    1.7234    0.3611    1.0085 H   0  0  0  0  0  0  0  0  0 25
    3.1847   -3.3200   -0.0661 H   0  0  0  0  0  0  0  0  0 26
    1.4239   -2.9950    0.5323 H   0  0  0  0  0  0  0  0  0 27
  1  2  1  0  0  0
  1  3  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  2  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
441245

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
197

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAABIAAAAAAAAAAGgAAAAAADVSggAICAAAABACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQACAAAEgAAAAAGAwPAOAAAAAAAAAADAAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane

> <PUBCHEM_IUPAC_NAME>
(3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CCEFMUBVSUDRLG-XNWIYYODSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CCC2(C(C1)O2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)[C@@H]1CCC2(C(C1)O2)C

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
2  8  3
3  12  3
6  9  6

$$$$