(3aR,4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
Basic information
- CAS
733047-16-0- Standard SMILES
C[C@]12CCC[C@H](O)[C@@H]1CCC2- InChIKey
VKUBMMFAMLTDRF-GUBZILKMSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- (3aR,4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
- IUPAC
- (3aR,4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
- English name
- 1H-Inden-4-ol, octahydro-7a-methyl-, (3aR,4S,7aS)- (9CI)
- Molecular formula
- C10H18O
- Molecular weight
- 154.24932
Names & synonyms
1H-Inden-4-ol, octahydro-7a-methyl-, (3aR,4S,7aS)- (9CI)
Database identifiers
- CAS
733047-16-0- PubChem CID
- 11194448
- Nikkaji
- J2.076.343D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
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Compound notes
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