Basic information
- CAS
20851-55-2- Standard SMILES
CCC=CCCCO- InChIKey
CUKAXHVLXKIPKF-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- Hept-4-en-1-ol
- IUPAC
- hept-4-en-1-ol
- English name
- 4-Hepten-1-ol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
Hept-4-en-1-ol20851-55-2(Z);-Hept-4-en-1-olSCHEMBL295929SCHEMBL3843432SCHEMBL3853499SCHEMBL16445476SCHEMBL16445477SCHEMBL28869348DTXSID30863701SB85175DB-316606
Show more names
cis-Hept-4-enol, cis-4-Hepten-1-ol, (Z)-4-Hepten-1-ol, 4-Hepten-1-ol, cis-, (Z)-Hept-4-en-1-ol, 4-Hepten-1-ol, (4Z)-, 00496_FLUKA, ZINC05224866, EINECS 228-238-2, CID5367536, 6191-71-5
Database identifiers
- CAS
20851-55-2- PubChem CID
- 80326
- DTXSID
DTXSID30863701
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 57.4
Physicochemical properties
- Boiling point
- 81.5 °C · 81.5 °C(Press: 17 Torr)
- Density
- 0.843 g/cm3 · 0.843 g/cm3
- pka
- 15.12 · 15.12±0.10(Predicted)
- LogP
- 1.794 · 1.794 (est)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-hepten-1-ol is an aliphatic alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…