8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
Basic information
- CAS
100052-83-3- Standard SMILES
CC12CCC(O)C=C1CCCC2O- InChIKey
GEMVWTFQNXYPRO-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
- IUPAC
- 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
Names & synonyms
100052-83-38a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol1,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-8a-methyl-8a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diolDTXSID50399991AKOS024324922ST504467438a-methyl-1,2,3,4,6,7,8,8a-octahydro-1,6-naphthalenediol
Database identifiers
- CAS
100052-83-3- PubChem CID
- 4153577
- DTXSID
DTXSID50399991
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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