1,2-dimethyl-4-(2-methylpropyl)benzene;methane

C13H22 — CID 143912284

IUPAC1,2-dimethyl-4-(2-methylpropyl)benzene;methane
SMILESC.Cc1ccc(CC(C)C)cc1C
InChIInChI=1S/C12H18.CH4/c1-9(2)7-12-6-5-10(3)11(4)8-12;/h5-6,8-9H,7H2,1-4H3;1H4
InChIKeyGMROFUHFMRSKGG-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.14
Rot. Bonds2

About 1,2-dimethyl-4-(2-methylpropyl)benzene;methane

1,2-dimethyl-4-(2-methylpropyl)benzene;methane (PubChem CID 143912284) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-methylpropyl)benzene;methane.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-methylpropyl)benzene;methane
PubChem CID143912284
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2-dimethyl-4-(2-methylpropyl)benzene;methane
SMILESC.Cc1ccc(CC(C)C)cc1C
InChIInChI=1S/C12H18.CH4/c1-9(2)7-12-6-5-10(3)11(4)8-12;/h5-6,8-9H,7H2,1-4H3;1H4
InChIKeyGMROFUHFMRSKGG-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
4-(2-bromo-4-methylpentyl)-1,2-dimethylbenzene
CID 63543426
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
2-[(3,4-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931638
4-[2-(chloromethyl)-3-methylbutyl]-1,2-dimethylbenzene
CID 66035218
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
1-methyl-4-[2-methyl-4-(2-methylpropyl)phenyl]-2-propan-2-ylbenzene
CID 163668395

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-methylpropyl)benzene;methane?
The IUPAC name of 1,2-dimethyl-4-(2-methylpropyl)benzene;methane (CID 143912284) is 1,2-dimethyl-4-(2-methylpropyl)benzene;methane.
What is the SMILES notation for 1,2-dimethyl-4-(2-methylpropyl)benzene;methane?
The canonical SMILES for 1,2-dimethyl-4-(2-methylpropyl)benzene;methane is C.Cc1ccc(CC(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(2-methylpropyl)benzene;methane?
The InChIKey is GMROFUHFMRSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.CH4/c1-9(2)7-12-6-5-10(3)11(4)8-12;/h5-6,8-9H,7H2,1-4H3;1H4.
What are the key properties of 1,2-dimethyl-4-(2-methylpropyl)benzene;methane?
1,2-dimethyl-4-(2-methylpropyl)benzene;methane has a molecular weight of 178.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-methylpropyl)benzene;methane is sourced from PubChem (CID 143912284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).