(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
Basic information
- CAS
29444-87-9- Standard SMILES
C/C=C\C#CC#C/C=C/COC(=O)CC(C)C- InChIKey
FPIBENZMUTVCEK-JWPKELMXSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Overview
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is a carboxylic ester.
Names & identifiers
- Preferred name
- (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
- IUPAC
- [(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbutanoate
Names & synonyms
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate(2E,8Z)-Deca-2,8-dien-4,6-diyn-1-yl 3-methylbutanoate(E,Z)-2,8-Decadien-4,6-diyn-1-yl 3-methylbutanoate[(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbutanoateCHEBI:169623FPIBENZMUTVCEK-JWPKELMXSA-NLMFA07010699WE 15:6Butanoic acid, 3-methyl-, 2,8-decadiene-4,6-diynyl ester, (E,Z)-WE 10:4(2E,4Y,6Y,8Z)/4:0(3Me); WE(10:4(2E,4Y,6Y,8Z)/4:0(3Me))
Database identifiers
- CAS
29444-87-9- PubChem CID
- 5352701
- ChEBI
CHEBI:169623- Nikkaji
- J88.603C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
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Related reactions
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Compound notes
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