trans-(2R,3R)-2,3-dihydroxycyclooctan-1-one
Basic information
- CAS
664987-32-0- Standard SMILES
O=C1CCCCC[C@@H](O)[C@H]1O- InChIKey
SUYJNAATTUXRRL-HTRCEHHLSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
Names & identifiers
- Preferred name
- trans-(2R,3R)-2,3-dihydroxycyclooctan-1-one
- IUPAC
- trans-(2R,3R)-2,3-dihydroxycyclooctan-1-one
- English name
- Cyclooctanone, 2,3-dihydroxy-, (2R,3R)-rel- (9CI)
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
Cyclooctanone, 2,3-dihydroxy-, (2R,3R)-rel-Cyclooctanone, 2,3-dihydroxy-, (2R,3R)-rel- (9CI)
Database identifiers
- CAS
664987-32-0
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 293.273 · 293.273±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.643 · 12.643±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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