Basic information
- CAS
69668-89-9- Standard SMILES
CCCC/C=C\C(C)O- InChIKey
YJJIVDCKSZMHGZ-SREVYHEPSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 3-Octen-2-ol, (3Z)-
- IUPAC
- (Z)-oct-3-en-2-ol
- English name
- (Z)-3-Octen-2-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3-Octen-2-ol, (Z)-(Z)-3-Octen-2-olcis-3-Octen-2-olUNII-Q5077S1B6J3-Octen-2-ol, (3Z)-Q5077S1B6J69668-89-9RefChem:198387YJJIVDCKSZMHGZ-SREVYHEPSA-N(3Z)-3-Octen-2-ol(3Z)-3-Octen-2-ol #Q27287005
Database identifiers
- CAS
69668-89-9- PubChem CID
- 5367533
- UNII
- Q5077S1B6J
- Nikkaji
- J126.477J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 76.6
Physicochemical properties
- Boiling point
- 88.5 · 88.5-89.5 °C(Press: 26 Torr)
- Density
- 0.8347 g/cm3 · 0.8347 g/cm3(Temp: 21 °C)
- pka
- 14.52 · 14.52±0.20(Predicted)
- FDA UNII
- 5077 S1B6J · Q5077S1B6J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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