1-(2,3-dimethylbutan-2-yl)-2-methylbenzene

C13H20 — CID 14195588

IUPAC1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
SMILESCc1ccccc1C(C)(C)C(C)C
InChIInChI=1S/C13H20/c1-10(2)13(4,5)12-9-7-6-8-11(12)3/h6-10H,1-5H3
InChIKeyQYDWLIYYRNBQJE-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.93
Rot. Bonds2

About 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene

1-(2,3-dimethylbutan-2-yl)-2-methylbenzene (PubChem CID 14195588) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
PubChem CID14195588
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
SMILESCc1ccccc1C(C)(C)C(C)C
InChIInChI=1S/C13H20/c1-10(2)13(4,5)12-9-7-6-8-11(12)3/h6-10H,1-5H3
InChIKeyQYDWLIYYRNBQJE-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene 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

1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium
CID 170108776
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
acetylene;1,2-xylene
CID 175515922
1,2-xylene
CID 173422016
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
2-[2,6-bis(2,3-dimethylbutan-2-yl)phenoxy]-1,3,2-benzodioxaphosphole
CID 14693977
2-[1-[4-[1,1-bis(2-sulfanylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethyl]benzenethiol
CID 155358414
1-methyl-2-[2-[2-(2-methylphenyl)pent-3-en-2-yloxy]pent-3-en-2-yl]benzene
CID 70422916
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene (CID 14195588) is 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene is Cc1ccccc1C(C)(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene?
The InChIKey is QYDWLIYYRNBQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)13(4,5)12-9-7-6-8-11(12)3/h6-10H,1-5H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene?
1-(2,3-dimethylbutan-2-yl)-2-methylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-2-methylbenzene is sourced from PubChem (CID 14195588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).