Octan-3R-ol
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Basic information
- CAS
70492-66-9- Standard SMILES
CCCCC[C@H](O)CC- InChIKey
NMRPBPVERJPACX-MRVPVSSYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Overview
(R)-(-)-3-octanol has been reported in Botrytis cinerea, Agastache rugosa, and other organisms with data available.
Names & identifiers
- Preferred name
- Octan-3R-ol
- IUPAC
- (3R)-octan-3-ol
- English name
- (R)-3-OCTANOL
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
Octan-3R-olRefChem:1093793(R)-3-Octanol3-Octanol, (R)-70492-66-9(3R)-octan-3-ol3OMSCHEMBL6826458SCHEMBL71896891g853OLLMFA05000490
Show more names
(R)-Octan-3-ol(3R)-3-Octanol3-Octanol, (3R)-[R,(-)]-Octan-3-ol
AKOS006286267
Database identifiers
- CAS
70492-66-9- PubChem CID
- 445789
- Nikkaji
- J56.249A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.5
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 169 · 169.0±0.0 °C(Predicted)
- Density
- 0.821 · 0.821±0.06 g/cm3(Predicted)
- pka
- 15.44 · 15.44±0.20(Predicted)
- LogP
- 2.817 · 2.817 (est)
Related reactions
1 records
Compound notes
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