Basic information
- CAS
55282-91-2- Standard SMILES
C=CCCCC=CC(=O)OCC- InChIKey
YJMBTLPCWIGRGK-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- CID 533702
- IUPAC
- ethyl octa-2,7-dienoate
- English name
- (E)-2,7-Octadienoic acid ethyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
2,7-Octadienoic acid, ethyl ester, (E)-55282-91-2ethyl octa-2,7-dienoateSCHEMBL27466468DTXSID10336423(E)-2,7-Octadienoic acid ethyl ester(2E)-2,7-Octadienoic acid ethyl ester2,7-Octadienoic acid, ethyl ester, (2E)-
Database identifiers
- CAS
55282-91-2- PubChem CID
- 533702
- DTXSID
DTXSID10336423
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 231.1 · 231.1±19.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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