(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol

C10H16O — CID 131104160

IUPAC(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
SMILESC[C@]12CCCC=C1CCC2O
InChIInChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9?,10-/m0/s1
InChIKeyFBFDSPVWVAOCKU-AXDSSHIGSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds

About (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol

(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol (PubChem CID 131104160) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol.

Molecular Properties

Compound Name(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
PubChem CID131104160
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol
SMILESC[C@]12CCCC=C1CCC2O
InChIInChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9?,10-/m0/s1
InChIKeyFBFDSPVWVAOCKU-AXDSSHIGSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-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

Sandalore
CID 103212
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
2-Hydroxytrichodiene
CID 122706455
alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol
CID 25076551
2,6,12,16-Tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol
CID 162992749
US20230312476, Example 1
CID 163526044
US20230312476, Example 9
CID 169429087
3-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
CID 121232761
(1R,5R,10R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-7-en-10-ol
CID 15894372
(2R)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 92279408
[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol
CID 135040720
[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol
CID 162922410

Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The IUPAC name of (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol (CID 131104160) is (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol.
What is the SMILES notation for (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The canonical SMILES for (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol is C[C@]12CCCC=C1CCC2O.
What is the InChIKey of (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
The InChIKey is FBFDSPVWVAOCKU-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H16O/c1-10-7-3-2-4-8(10)5-6-9(10)11/h4,9,11H,2-3,5-7H2,1H3/t9?,10-/m0/s1.
What are the key properties of (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol?
(7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-ol is sourced from PubChem (CID 131104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).