6-(3-Hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1h-cyclopenta[a]naphthalen-7-ol
Basic information
- CAS
6242-19-9- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC(O)C(C)(CCCO)C3CCC12C- InChIKey
XZLIIZIUJOQWSF-UHFFFAOYSA-N- Molecular formula
- C26H48O2
- Average molar mass
- 392.7 g/mol
- Monoisotopic mass
- 392.36543077
Names & identifiers
- Preferred name
- 6-(3-Hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1h-cyclopenta[a]naphthalen-7-ol
- IUPAC
- 6-(3-hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-ol
Names & synonyms
6242-19-96-(3-hydroxypropyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1h-cyclopenta[a]naphthalen-7-olNSC61700DTXSID60289511NSC-61700
Database identifiers
- CAS
6242-19-9- PubChem CID
- 247294
- DTXSID
DTXSID60289511
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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