2,4-Octadienoic acid, 2-hydroxy-7-methyl-6-oxo-, (E,Z)-
Basic information
- CAS
105688-62-8- Standard SMILES
CC(C)C(=O)/C=C\C=C(\O)C(=O)O- InChIKey
OEUMAONYVQQDBW-HMRFFJRGSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Overview
(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid is an alpha,beta-unsaturated monocarboxylic acid that is (2E,4Z)-7-methyl-2,4-octadienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It is a 6-oxo monocarboxylic acid, a 2-hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate.
Names & identifiers
- Preferred name
- 2,4-Octadienoic acid, 2-hydroxy-7-methyl-6-oxo-, (E,Z)-
- IUPAC
- (2E,4Z)-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid
Names & synonyms
105688-62-8DTXSID3012059472,4-Octadienoic acid, 2-hydroxy-7-methyl-6-oxo-, (E,Z)-RefChem:935331DTXCID4016373572-Hydroxy-6-oxo-7-methylocta-2,4-dienoate(2E,4Z)-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acidC06582(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acidAC1NQXTJCHEBI:83171Q27156674
Show more names
(2E,4Z)-2-hydroxy-7-methyl-6-oxo-octa-2,4-dienoic acid
Database identifiers
- CAS
105688-62-8- PubChem CID
- 5280967
- DTXSID
DTXSID301205947- ChEBI
CHEBI:83171- Nikkaji
- J2.762.452I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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