Basic information
- CAS
2351-88-4- Standard SMILES
CCCCC=CC(=O)OCC- InChIKey
CYLQPOIZDBIXFP-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- CID 316636
- IUPAC
- ethyl hept-2-enoate
- English name
- 2-Heptenoic acid ethyl ester
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
SCHEMBL1885350CYLQPOIZDBIXFP-UHFFFAOYSA-NQ271598312-Heptenoic acid ethyl ester
Database identifiers
- CAS
2351-88-4- PubChem CID
- 316636
- DTXSID
DTXSID301316102
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 58 · 58-58.8 °C(Press: 3 Torr)
- Density
- 0.897 · 0.897±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- LogP
- 3.335 · 3.335 (est)
- FDA UNII
- 9 LG7DSY · XYH9LG7DSY
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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