2,2-Dimethyl-1-phenyl-3-buten-1-one
Basic information
- CAS
62894-04-6- Standard SMILES
C=CC(C)(C)C(=O)c1ccccc1- InChIKey
YVSVBBOOERFCLA-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-phenyl-3-buten-1-one
- IUPAC
- 2,2-dimethyl-1-phenylbut-3-en-1-one
Names & synonyms
2,2-Dimethyl-1-phenyl-3-buten-1-one62894-04-6DTXSID10341072RefChem:243419DTXCID302921532,2-dimethyl-1-phenylbut-3-en-1-one2,2-dimethyl-1-phenyl-3-butene-1-one3-Buten-1-one, 2,2-dimethyl-1-phenyl-SCHEMBL90919382,2-Dimethyl-1-phenyl-3-buten-1-one #
Database identifiers
- CAS
62894-04-6- PubChem CID
- 569795
- DTXSID
DTXSID10341072- Nikkaji
- J741.456K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
1 records
Compound notes
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