Propenediester
Basic information
- Standard SMILES
C=C(CCCCCCCCCCCCC)CCCC(=O)O/C=C\COC(C)=O- InChIKey
DNMGXMJBUOJKLE-PGMHBOJBSA-N- Molecular formula
- C24H42O4
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.30830982
Overview
(1Z)-3-Acetoxy-1-propen-1-yl 5-methyleneoctadecanoate is a natural product found in Oscillatoria species. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Propenediester
- IUPAC
- [(Z)-3-acetyloxyprop-1-enyl] 5-methylideneoctadecanoate
Names & synonyms
PropenediesterDTXSID401047209(1Z)-3-Acetoxy-1-propen-1-yl 5-methyleneoctadecanoateRefChem:176398DTXCID201528823((Z)-3-acetyloxyprop-1-enyl) 5-methylideneoctadecanoateCHEMBL1928587SCHEMBL29885301CHEBI:69066BDBM50359304Q27137406
Database identifiers
- PubChem CID
- 56599474
- DTXSID
DTXSID401047209- ChEMBL
CHEMBL1928587- ChEBI
CHEBI:69066- Nikkaji
- J3.001.232A
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 440
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Related reactions
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Compound notes
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