Basic information
- CAS
155800-88-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CCCCC- InChIKey
QNOXEINYPHZJBN-JSOSNVBQSA-N- Molecular formula
- C31H64O2
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.49063128
Overview
(6R,8S)-hentriacontane-6,8-diol has been reported in Carthamus tinctorius with data available.
Names & identifiers
- Preferred name
- rel-(6R,8S)-6,8-Hentriacontanediol
- IUPAC
- (6R,8S)-hentriacontane-6,8-diol
Names & synonyms
rel-(6R,8S)-6,8-Hentriacontanediol155800-88-7RefChem:178788(6R,8S)-hentriacontane-6,8-diolDTXSID001296214
Database identifiers
- CAS
155800-88-7- PubChem CID
- 10073357
- DTXSID
DTXSID001296214
Properties
Computed structural properties
- XLogP
- 13.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 28
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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