(1R)-1-[(Z)-oct-2-enyl]cyclopent-4-ene-1,3-diol
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Basic information
- CAS
601488-26-0- Standard SMILES
CCCCC/C=C\C[C@]1(O)C=CC(O)C1- InChIKey
NWPKHUIUHTUXTG-NTEHQEOMSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
Names & identifiers
- Preferred name
- (1R)-1-[(Z)-oct-2-enyl]cyclopent-4-ene-1,3-diol
- IUPAC
- (1R)-1-[(Z)-oct-2-enyl]cyclopent-4-ene-1,3-diol
- English name
- 4-Cyclopentene-1,3-diol, 1-(2Z)-2-octenyl-, (1R)- (9CI)
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
4-Cyclopentene-1,3-diol, 1-(2Z)-2-octen-1-yl-, (1R)-4-Cyclopentene-1,3-diol, 1-(2Z)-2-octenyl-, (1R)- (9CI)
Database identifiers
- CAS
601488-26-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 321.3 · 321.3±42.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 14.06 · 14.06±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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