Basic information
- CAS
89216-35-3- Standard SMILES
CCCC=CC(C)CC(=O)O- InChIKey
PWGBMACIYBWEAK-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- CID 71322766
- IUPAC
- 3-methyloct-4-enoic acid
Names & synonyms
89216-35-3SCHEMBL23829791DTXSID30752409PWGBMACIYBWEAK-UHFFFAOYSA-N
Database identifiers
- CAS
89216-35-3- PubChem CID
- 71322766
- DTXSID
DTXSID30752409
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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