(2R,3R,4S)-3,4-dimethylhexan-2-ol
Basic information
- CAS
17111-45-4- Standard SMILES
CC[C@H](C)[C@@H](C)[C@@H](C)O- InChIKey
LBJWJHMCZHKLQU-XLPZGREQSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- (2R,3R,4S)-3,4-dimethylhexan-2-ol
- IUPAC
- (2R,3R,4S)-3,4-dimethylhexan-2-ol
Names & synonyms
(2R,3R,4S)-3,4-dimethylhexan-2-ol17111-45-4DTXSID90426351
Database identifiers
- CAS
17111-45-4- PubChem CID
- 6993243
- DTXSID
DTXSID90426351
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
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Compound notes
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