5-Methyl-5-phenyl-2-hexanone
Basic information
- CAS
14128-61-1- Standard SMILES
CC(=O)CCC(C)(C)c1ccccc1- InChIKey
IFKGKEYWZPTXEY-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 5-Methyl-5-phenyl-2-hexanone
- IUPAC
- 5-methyl-5-phenylhexan-2-one
- English name
- 5-Methyl-5-phenyl-2-hexanone
- Molecular weight
- 0
Names & synonyms
5-METHYL-5-PHENYL-2-HEXANONE14128-61-1DTXSID60161621RefChem:537189DTXCID30841125-methyl-5-phenylhexan-2-one2-Hexanone, 5-methyl-5-phenyl-5-phenyl-5-methyl-2-hexanoneSCHEMBL10380677SCHEMBL16369386IFKGKEYWZPTXEY-UHFFFAOYSA-N5-Methyl-5-phenyl-2-hexanone #
Show more names
EN300-1877428
Database identifiers
- CAS
14128-61-1- PubChem CID
- 26474
- DTXSID
DTXSID60161621- Nikkaji
- J103.847H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
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Compound notes
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