1,2-dimethyl-4-(3-methylpentan-2-yl)benzene

C14H22 — CID 54500357

IUPAC1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22/c1-6-10(2)13(5)14-8-7-11(3)12(4)9-14/h7-10,13H,6H2,1-5H3
InChIKeyXHEVUWHGGLEHKI-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.45
Rot. Bonds3

About 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene (PubChem CID 54500357) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
PubChem CID54500357
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22/c1-6-10(2)13(5)14-8-7-11(3)12(4)9-14/h7-10,13H,6H2,1-5H3
InChIKeyXHEVUWHGGLEHKI-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
CID 79307170
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
4-(1-methoxypropyl)-1,2-dimethylbenzene
CID 54163976
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine
CID 91102081
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene?
The IUPAC name of 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene (CID 54500357) is 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene is CCC(C)C(C)c1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene?
The InChIKey is XHEVUWHGGLEHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-10(2)13(5)14-8-7-11(3)12(4)9-14/h7-10,13H,6H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene?
1,2-dimethyl-4-(3-methylpentan-2-yl)benzene has a molecular weight of 190.33 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methylpentan-2-yl)benzene is sourced from PubChem (CID 54500357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).