2,2-Dimethyl-5-phenyloct-7-EN-3-one
Basic information
- CAS
87995-34-4- Standard SMILES
C=CCC(CC(=O)C(C)(C)C)c1ccccc1- InChIKey
FXMSLDVRAZHCTF-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-phenyloct-7-EN-3-one
- IUPAC
- 2,2-dimethyl-5-phenyloct-7-en-3-one
Names & synonyms
2,2-DIMETHYL-5-PHENYLOCT-7-EN-3-ONE87995-34-4DTXSID10545159
Database identifiers
- CAS
87995-34-4- PubChem CID
- 13618255
- DTXSID
DTXSID10545159
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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