Basic information
- CAS
3675-22-7- Standard SMILES
CCCCC(C)=CC(=O)O- InChIKey
BBLRVFUTKVICCR-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3-Methyl-2-heptenoic acid
- IUPAC
- 3-methylhept-2-enoic acid
Names & synonyms
3-methyl-2-heptenoic acidRefChem:2807753675-22-7SCHEMBL2182219DTXSID601312123
Database identifiers
- CAS
3675-22-7- PubChem CID
- 53673400
- DTXSID
DTXSID601312123
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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