Ethyl gadoleate
Basic information
- CAS
393803-94-6- Standard SMILES
CCCCCCCCCC/C=C\CCCCCCCC(=O)OCC- InChIKey
HWNWITBWKRPGEA-YPKPFQOOSA-N- Molecular formula
- C22H42O2
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 338.31848058
Overview
Ethyl (9Z)-icosenoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (9Z)-icosenoic acid with the hydroxy group of ethanol. It is functionally related to a gadoleic acid.
Names & identifiers
- Preferred name
- Ethyl gadoleate
- IUPAC
- ethyl (Z)-icos-9-enoate
Names & synonyms
Ethyl gadoleateGadoleic acid, ethyl esterUNII-XIY5EZX02UXIY5EZX02U9-Eicosenoic acid, ethyl ester, (9Z)-393803-94-6ethyl (9Z)-icosenoateethyl (9Z)-eicosenoateEthyl (9Z)-9-eicosenoateEthyl (9Z)-icos-9-enoateethyl (9Z)-icos-11-enoateethyl (9Z)-eicos-11-enoate
Show more names
SCHEMBL28577560CHEBI:84864DTXSID901312839Q27158133
Database identifiers
- CAS
393803-94-6- PubChem CID
- 72941815
- DTXSID
DTXSID901312839- ChEBI
CHEBI:84864- UNII
- XIY5EZX02U
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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