1-Methyl-4-(1-methylpropyl)benzene

1-Methyl-4-(1-methylpropyl)benzene
Compound Structure:
Synonyms: 1-Methyl-4-(1-methylpropyl)-benzene;4-(2-Butyl)toluene;1-butan-2-yl-4-methylbenzene;Benzene, 1-methyl-4-(1-methylpropyl)-;1-METHYL-4-(1-METHYLPROPYL)BENZENE;1-Sec-butyl-4-methylbenzene
Compound ID: NMPC-095
PubChem ID:

519195
Molecular Formula: C11H16
Canonical SMILES: CCC(C)C1=CC=C(C=C1)C
InChIKey: LWCFXYMSEGQWNB-UHFFFAOYSA-N
About the compound:
Properties:

 

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

148.24 g/mol

XLogP3

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

2

Exact Mass

148.125200510 g/mol

Monoisotopic Mass

148.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

98.6

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species:
Download SDF