(3S)-heptan-3-ol
Basic information
- CAS
26549-25-7- Standard SMILES
CCCC[C@@H](O)CC- InChIKey
RZKSECIXORKHQS-ZETCQYMHSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- (3S)-heptan-3-ol
- IUPAC
- (3S)-heptan-3-ol
Names & synonyms
(3S)-heptan-3-ol26549-25-7DTXSID20426425RefChem:208309DTXCID503772593-Heptanol, (3S)-(S)-3-heptanolSCHEMBL12399RZKSECIXORKHQS-ZETCQYMHSA-N
Database identifiers
- CAS
26549-25-7- PubChem CID
- 6998928
- DTXSID
DTXSID20426425- Nikkaji
- J51.733J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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