Basic information
- CAS
69668-87-7- Standard SMILES
CCCC/C=C\CC(=O)OCC- InChIKey
BCMYNNIPTQUKAC-FPLPWBNLSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
(3Z)-ethyl 3-octenoate has been reported in Passiflora edulis with data available.
Names & identifiers
- Preferred name
- Ethyl (Z)-oct-3-enoate
- IUPAC
- ethyl (Z)-oct-3-enoate
- English name
- ethyl (Z)-oct-3-enoate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Ethyl (Z)-oct-3-enoateEthyl 3-octenoate, (3Z)-69668-87-7Ethyl (3Z)-3-octenoate3-Octenoic acid, ethyl ester, (Z)-UNII-K78Q289W6AEthyl cis-3-octenoateK78Q289W6AEINECS 274-066-6ETHYL (Z)-3-OCTENOATEethyl (3Z)-oct-3-enoate(3Z)-ethyl 3-octenoate
Show more names
(Z)-3-Octenoic acid ethyl ester
Ethyl 3-octenoate, (Z)-ETHYL 3-OCTENOATE, CIS-DTXSID101314255FEMA NO. 4361, Z-NS000910263-OCTENOIC ACID, ETHYL ESTER, (3Z)-Q27282045
Database identifiers
- CAS
69668-87-7- PubChem CID
- 5352797
- DTXSID
DTXSID101314255- UNII
- K78Q289W6A
- EC Number
- 274-066-6
- Nikkaji
- J126.463J
Properties
Computed structural properties
- XLogP
- 3
- 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
- 139
Physicochemical properties
- Boiling point
- 212.7 · 212.7±9.0 °C(Predicted)
- Density
- 0.892 · 0.892±0.06 g/cm3(Predicted)
- LogP
- 3.385 · 3.385 (est)
- FDA UNII
- 78 Q289W6A · K78Q289W6A
Chemistry & industry
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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