Basic information
- CAS
82898-14-4- Standard SMILES
CCC(CC=C(C)C)C(=O)O- InChIKey
VFZXAVAKBQJDAP-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Ethyl-5-methyl-4-hexenoic acid
- IUPAC
- 2-ethyl-5-methylhex-4-enoic acid
Names & synonyms
SCHEMBL15389021DTXSID4013023882-Ethyl-5-methyl-4-hexenoic acid2-ethyl-5-methylhex-4-enoic acidAKOS01753178882898-14-4
Database identifiers
- CAS
82898-14-4- PubChem CID
- 12923902
- DTXSID
DTXSID401302388
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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