Ethyl 13-docosenoate
Basic information
- CAS
199189-90-7- Standard SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC- InChIKey
WFZQLUSOXHIVKL-UHFFFAOYSA-N- Molecular formula
- C24H46O2
- Average molar mass
- 366.6 g/mol
- Monoisotopic mass
- 366.34978071
Overview
ethyl docos-13-enoate has been reported in Cynomorium songaricum with data available.
Names & identifiers
- Preferred name
- Ethyl 13-docosenoate
- IUPAC
- ethyl docos-13-enoate
Names & synonyms
ethyl 13-docosenoateRefChem:342108ethyl docos-13-enoatecis-13-Docosenoic acid ethyl esterSCHEMBL8983036DTXSID501336948199189-90-7DB-049217D89762
Database identifiers
- CAS
199189-90-7- PubChem CID
- 94479
- DTXSID
DTXSID501336948
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 309
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Related reactions
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Compound notes
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