(3E)-2-propylpent-3-enoic acid
Basic information
- CAS
72010-19-6- Standard SMILES
C/C=C/C(CCC)C(=O)O- InChIKey
WTMAHJABDOHPDJ-HWKANZROSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
(3E)-2-Propylpent-3-enoic acid is a methyl-branched fatty acid.
Names & identifiers
- Preferred name
- (3E)-2-propylpent-3-enoic acid
- IUPAC
- (E)-2-propylpent-3-enoic acid
Names & synonyms
(3E)-2-PROPYLPENT-3-ENOIC ACIDRefChem:1050203(E)-2-propylpent-3-enoic acid2-Propyl-3-pentenoic acid72010-19-63-En-valproic acid(Z)-2-propylpent-3-enoic acid3-en-VPA3-Pentenoic acid, 2-propyl-3E-Ene-VPASCHEMBL1003227CHEMBL3706503
Show more names
CHEBI:195734LMFA01030945AKOS006272874
Database identifiers
- CAS
72010-19-6- PubChem CID
- 6439747
- ChEMBL
CHEMBL3706503- ChEBI
CHEBI:195734- Nikkaji
- J1.361.356G、J362.529J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Valproic acid
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsExtracellular
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Related reactions
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Compound notes
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