2-butyl-1,3,5-trimethylbenzene

C13H20 — CID 527298

IUPAC2-butyl-1,3,5-trimethylbenzene
SMILESCCCCc1c(C)cc(C)cc1C
InChIInChI=1S/C13H20/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3
InChIKeyWGWIEEZKILSKOQ-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.95
Rot. Bonds3

About 2-butyl-1,3,5-trimethylbenzene

2-butyl-1,3,5-trimethylbenzene (PubChem CID 527298) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-butyl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-butyl-1,3,5-trimethylbenzene
PubChem CID527298
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-butyl-1,3,5-trimethylbenzene
SMILESCCCCc1c(C)cc(C)cc1C
InChIInChI=1S/C13H20/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3
InChIKeyWGWIEEZKILSKOQ-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-butyl-1,3,5-trimethylbenzene 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

2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
trimethyl-[3-(2,4,6-trimethylphenyl)propyl]silane
CID 71178201
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium
CID 58205684
2-(5-methoxypentyl)-1,3,5-trimethylbenzene
CID 143283296
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3,5-trimethylbenzene?
The IUPAC name of 2-butyl-1,3,5-trimethylbenzene (CID 527298) is 2-butyl-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-butyl-1,3,5-trimethylbenzene?
The canonical SMILES for 2-butyl-1,3,5-trimethylbenzene is CCCCc1c(C)cc(C)cc1C.
What is the InChIKey of 2-butyl-1,3,5-trimethylbenzene?
The InChIKey is WGWIEEZKILSKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-butyl-1,3,5-trimethylbenzene?
2-butyl-1,3,5-trimethylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3,5-trimethylbenzene is sourced from PubChem (CID 527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).