3-Methylene-heptanoic acid
Basic information
- CAS
84817-84-5- Standard SMILES
C=C(CCCC)CC(=O)O- InChIKey
DURJBIVOBGHCHY-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
3-Methyleneheptanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 3-Methylene-heptanoic acid
- IUPAC
- 3-methylideneheptanoic acid
Names & synonyms
3-methylene-heptanoic acidRefChem:9115343-Methyleneheptanoic acid3-methylideneheptanoic acid84817-84-53-MethyleneheptanoicacidSCHEMBL3504677SCHEMBL27662944DTXSID60523280CHEBI:180306LMFA01030800AKOS006377041
Database identifiers
- CAS
84817-84-5- PubChem CID
- 13159262
- DTXSID
DTXSID60523280- ChEBI
CHEBI:180306- Nikkaji
- J2.363.360D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
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Related reactions
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Compound notes
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