(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol

C34H62O — CID 70902237

IUPAC(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
SMILESCCCC1CCC(C(C)(C)C(C[C@H](C)CCC2C3CCCCC3C[C@@H]2O)C2CCC(C)CC2)CC1
InChIInChI=1S/C34H62O/c1-6-9-26-15-19-29(20-16-26)34(4,5)32(27-17-12-24(2)13-18-27)22-25(3)14-21-31-30-11-8-7-10-28(30)23-33(31)35/h24-33,35H,6-23H2,1-5H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,33+/m1/s1
InChIKeyQXCDAJCNHYMXNQ-AZLUUUQFSA-N
MW486.87 g/mol
LogP10.06
Rot. Bonds10

About (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol

(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol (PubChem CID 70902237) has the molecular formula C34H62O and a molecular weight of 486.87 g/mol. Its IUPAC name is (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
PubChem CID70902237
Molecular FormulaC34H62O
Molecular Weight486.87 g/mol
Exact Mass486.48
IUPAC Name(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
SMILESCCCC1CCC(C(C)(C)C(C[C@H](C)CCC2C3CCCCC3C[C@@H]2O)C2CCC(C)CC2)CC1
InChIInChI=1S/C34H62O/c1-6-9-26-15-19-29(20-16-26)34(4,5)32(27-17-12-24(2)13-18-27)22-25(3)14-21-31-30-11-8-7-10-28(30)23-33(31)35/h24-33,35H,6-23H2,1-5H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,33+/m1/s1
InChIKeyQXCDAJCNHYMXNQ-AZLUUUQFSA-N
XLogP10.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.87
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
CID 123921809
3-methyl-1-(4-propylcyclohexyl)hexan-1-ol
CID 65424878
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-cyclohexyl-6-propylcyclodecane
CID 58552139
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085901
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The IUPAC name of (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol (CID 70902237) is (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol.
What is the SMILES notation for (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The canonical SMILES for (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol is CCCC1CCC(C(C)(C)C(C[C@H](C)CCC2C3CCCCC3C[C@@H]2O)C2CCC(C)CC2)CC1.
What is the InChIKey of (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
The InChIKey is QXCDAJCNHYMXNQ-AZLUUUQFSA-N. The full InChI is InChI=1S/C34H62O/c1-6-9-26-15-19-29(20-16-26)34(4,5)32(27-17-12-24(2)13-18-27)22-25(3)14-21-31-30-11-8-7-10-28(30)23-33(31)35/h24-33,35H,6-23H2,1-5H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,33+/m1/s1.
What are the key properties of (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol?
(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol has a molecular weight of 486.87 g/mol, XLogP of 10.06, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol is sourced from PubChem (CID 70902237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).