CAS 938-16-9|2,2-dimethyl-1-phenylpropan-1-one|2,2-二甲基苯丙酮|叔丁基苯基酮|三甲基苯乙酮|2,2-dimethylpropiophenone|2,2-Dimethyl-1-phenylpropan-1-one|2,2-Dimethylpropiophenone|tert-Butyl phenyl keto...

General Information

Structure

Molecular Formula

C₁₁H₁₄O

Molecular Mass

162.22826

Exact Mass

162.10446507

Charge

InChI

InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

OECPUBRNDKXFDX-UHFFFAOYSA-N

Canonic Smiles

O=C(C(C)(C)C)c1ccccc1

Isomeric Smiles

O=C(c1ccccc1)C(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3304298

LogD (pH = 7.4)

3.3304298

Log P

3.3304298

Molar Refractivity

50.1632

Polarizability

19.6112

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2,2-dimethyl-1-phenylpropan-1-one

Synonyms

2,2-二甲基苯丙酮叔丁基苯基酮三甲基苯乙酮2,2-Dimethyl-1-phenylpropan-1-one2,2-Dimethylpropiophenone2,2-DimethylpropiophenonePivalophenonetert-Butyl phenyl ketone2,2,2-Trimethylacetophenone2,2-Dimethylpropiophenone2,2,2-三甲基苯乙酮

IUPAC Traditional name

2,2-dimethylpropiophenone

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number