CID 174247
Basic information
- CAS
81782-89-0- Standard SMILES
C=CC(C)=CCC(C)(C)C(=O)C(C)C- InChIKey
TWJFINAHYOYYOB-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- CID 174247
- IUPAC
- 2,4,4,7-tetramethylnona-6,8-dien-3-one
Names & synonyms
SCHEMBL2250242NS00013235
Database identifiers
- CAS
81782-89-0- PubChem CID
- 174247
- DTXSID
DTXSID3072874
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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