CAS 98-19-1|5-tert-BUTYL-m-XYLENE|1-tert-butyl-3,5-dimethylbenzene|1-tert-butyl-3,5-dimethylbenzene|1-叔丁基-3,5-二甲基苯|sym.-tert-Butyl-m-xylene|5-tert-Butyl-m-xylene|1-tert-Butyl-3,5-dimethylbenz...

General Information

Structure

Molecular Formula

C₁₂H₁₈

Molecular Mass

162.27132

Exact Mass

162.14085058

Charge

InChI

InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)cc(c1)C(C)(C)C

Isomeric Smiles

Cc1cc(cc(C)c1)C(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.545145

LogD (pH = 7.4)

4.545145

Log P

4.545145

Molar Refractivity

54.8063

Polarizability

21.228271

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-tert-BUTYL-m-XYLENE1-叔丁基-3,5-二甲基苯sym.-tert-Butyl-m-xylene1-tert-Butyl-3,5-dimethylbenzene5-tert-Butyl-m-xylene对称-叔丁基-间二甲苯5-叔丁基-间二甲苯1-tert-Butyl-3,5-dimethylbenzene5-叔丁基间二甲苯1-(tert-Butyl)-3,5-dimethylbenzene5-tert-Butyl-m-xylene

IUPAC name

1-tert-butyl-3,5-dimethylbenzene

IUPAC Traditional name

1-tert-butyl-3,5-dimethylbenzene

Names and Identifiers

Registration numbers

CAS Number

98-19-1

EC Number

202-647-6

PubChem SID

1620944872485241924853985