Basic information
- CAS
59211-19-7- Standard SMILES
CC(C)=CC=CC(C)(C)C(=O)O- InChIKey
WDBNPMNWUPNOLQ-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 2,2,6-Trimethylhepta-3,5-dienoic acid
- IUPAC
- 2,2,6-trimethylhepta-3,5-dienoic acid
Names & synonyms
2,2,6-trimethylhepta-3,5-dienoic acid59211-19-7DTXSID40787207
Database identifiers
- CAS
59211-19-7- PubChem CID
- 71363695
- DTXSID
DTXSID40787207
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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