606283
DSViewer 3D 0
43 44 0 0 0 0 0 0 0 0999 V2000
4.8021 -0.7337 0.4319 C 0 0 3 0 0 0 0 0 0 1
4.5786 0.6500 -0.1739 C 0 0 3 0 0 0 0 0 0 2
5.8482 1.6188 -0.2068 C 0 0 0 0 0 0 0 0 0 3
3.4723 -1.5865 0.1285 C 0 0 3 0 0 0 0 0 0 4
6.0091 -1.4503 -0.2100 C 0 0 0 0 0 0 0 0 0 5
3.3627 1.3193 0.7360 C 0 0 0 0 0 0 0 0 0 6
2.1440 -0.6779 0.0910 C 0 0 3 0 0 0 0 0 0 7
6.9606 0.8264 -0.9457 C 0 0 0 0 0 0 0 0 0 8
2.1065 0.3404 1.1378 C 0 0 0 0 0 0 0 0 0 9
7.2631 -0.5105 -0.1424 C 0 0 0 0 0 0 0 0 0 10
5.0548 -0.6510 1.9979 C 0 0 0 0 0 0 0 0 0 11
6.4254 2.0969 1.1632 C 0 0 0 0 0 0 0 0 0 12
5.4715 2.8955 -0.9786 C 0 0 0 0 0 0 0 0 0 13
3.4360 -2.1769 -1.3047 C 0 0 0 0 0 0 0 0 0 14
0.8953 -1.5799 0.0400 C 0 0 0 0 0 0 0 0 0 15
4.2954 0.4793 -1.2213 H 0 0 0 0 0 0 0 0 0 16
3.4909 -2.4068 0.8586 H 0 0 0 0 0 0 0 0 0 17
6.2157 -2.3730 0.3324 H 0 0 0 0 0 0 0 0 0 18
5.7836 -1.6827 -1.2508 H 0 0 0 0 0 0 0 0 0 19
3.8072 1.6810 1.6632 H 0 0 0 0 0 0 0 0 0 20
2.9571 2.1609 0.1744 H 0 0 0 0 0 0 0 0 0 21
2.1591 -0.0671 -0.8251 H 0 0 0 0 0 0 0 0 0 22
6.6256 0.5795 -1.9531 H 0 0 0 0 0 0 0 0 0 23
7.8652 1.4320 -1.0012 H 0 0 0 0 0 0 0 0 0 24
2.2535 -0.1030 2.1226 H 0 0 0 0 0 0 0 0 0 25
1.1628 0.8858 1.1215 H 0 0 0 0 0 0 0 0 0 26
7.4812 -0.2687 0.8979 H 0 0 0 0 0 0 0 0 0 27
8.1210 -1.0157 -0.5861 H 0 0 0 0 0 0 0 0 0 28
5.2098 -1.6542 2.3949 H 0 0 0 0 0 0 0 0 0 29
4.1896 -0.1987 2.4827 H 0 0 0 0 0 0 0 0 0 30
5.9386 -0.0434 2.1923 H 0 0 0 0 0 0 0 0 0 31
7.2828 2.7471 0.9898 H 0 0 0 0 0 0 0 0 0 32
6.7384 1.2319 1.7479 H 0 0 0 0 0 0 0 0 0 33
5.6584 2.6460 1.7095 H 0 0 0 0 0 0 0 0 0 34
6.3287 3.5680 -1.0100 H 0 0 0 0 0 0 0 0 0 35
4.6396 3.3911 -0.4781 H 0 0 0 0 0 0 0 0 0 36
5.1789 2.6330 -1.9953 H 0 0 0 0 0 0 0 0 0 37
2.5130 -2.7400 -1.4430 H 0 0 0 0 0 0 0 0 0 38
4.2899 -2.8393 -1.4471 H 0 0 0 0 0 0 0 0 0 39
3.4794 -1.3670 -2.0330 H 0 0 0 0 0 0 0 0 0 40
-0.0007 -0.9598 0.0147 H 0 0 0 0 0 0 0 0 0 41
0.8706 -2.2174 0.9239 H 0 0 0 0 0 0 0 0 0 42
0.9317 -2.2015 -0.8547 H 0 0 0 0 0 0 0 0 0 43
1 2 1 0 0 0
1 4 1 0 0 0
1 5 1 0 0 0
1 11 1 0 0 0
2 3 1 0 0 0
2 6 1 0 0 0
2 16 1 0 0 0
3 8 1 0 0 0
3 12 1 0 0 0
3 13 1 0 0 0
4 7 1 0 0 0
4 14 1 0 0 0
4 17 1 0 0 0
5 10 1 0 0 0
5 18 1 0 0 0
5 19 1 0 0 0
6 9 1 0 0 0
6 20 1 0 0 0
6 21 1 0 0 0
7 9 1 0 0 0
7 15 1 0 0 0
7 22 1 0 0 0
8 10 1 0 0 0
8 23 1 0 0 0
8 24 1 0 0 0
9 25 1 0 0 0
9 26 1 0 0 0
10 27 1 0 0 0
10 28 1 0 0 0
11 29 1 0 0 0
11 30 1 0 0 0
11 31 1 0 0 0
12 32 1 0 0 0
12 33 1 0 0 0
12 34 1 0 0 0
13 35 1 0 0 0
13 36 1 0 0 0
13 37 1 0 0 0
14 38 1 0 0 0
14 39 1 0 0 0
14 40 1 0 0 0
15 41 1 0 0 0
15 42 1 0 0 0
15 43 1 0 0 0
M END
> <PUBCHEM_COMPOUND_CID>
606283
> <PUBCHEM_COMPOUND_CANONICALIZED>
1
> <PUBCHEM_CACTVS_COMPLEXITY>
240
> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0
> <PUBCHEM_CACTVS_HBOND_DONOR>
0
> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0
> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==
> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,4a,5,6-pentamethyldecalin
> <PUBCHEM_IUPAC_CAS_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
> <PUBCHEM_IUPAC_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,4a,5,6-pentamethyldecalin
> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3
> <PUBCHEM_IUPAC_INCHIKEY>
CVRSZZJUWRLRDE-UHFFFAOYSA-N
> <PUBCHEM_XLOGP3_AA>
6.2
> <PUBCHEM_EXACT_MASS>
208.219
> <PUBCHEM_MOLECULAR_FORMULA>
C15H28
> <PUBCHEM_MOLECULAR_WEIGHT>
208.383
> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(CCCC2(C1C)C)(C)C
> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C(CCCC2(C1C)C)(C)C
> <PUBCHEM_CACTVS_TPSA>
0
> <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.219
> <PUBCHEM_TOTAL_CHARGE>
0
> <PUBCHEM_HEAVY_ATOM_COUNT>
15
> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0
> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4
> <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>
1 11 3
2 16 3
4 17 3
7 22 3
$$$$