2-methylbutane;1,3,5-trimethylbenzene

C14H24 — CID 162176469

IUPAC2-methylbutane;1,3,5-trimethylbenzene
SMILESCCC(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C5H12/c1-7-4-8(2)6-9(3)5-7;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyZOLPVXLJLYHPOJ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.66
Rot. Bonds1

About 2-methylbutane;1,3,5-trimethylbenzene

2-methylbutane;1,3,5-trimethylbenzene (PubChem CID 162176469) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-methylbutane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-methylbutane;1,3,5-trimethylbenzene
PubChem CID162176469
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-methylbutane;1,3,5-trimethylbenzene
SMILESCCC(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C5H12/c1-7-4-8(2)6-9(3)5-7;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyZOLPVXLJLYHPOJ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methylbutane;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

1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
CID 171375446
CID 171375446
2-methylbutane;nickel
CID 159021520
ethane;1,3,5-trimethylbenzene
CID 91530079
butan-2-yloxy-(3,5-dimethylphenyl)silane
CID 173101684
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;1,3,5-trimethylbenzene?
The IUPAC name of 2-methylbutane;1,3,5-trimethylbenzene (CID 162176469) is 2-methylbutane;1,3,5-trimethylbenzene.
What is the SMILES notation for 2-methylbutane;1,3,5-trimethylbenzene?
The canonical SMILES for 2-methylbutane;1,3,5-trimethylbenzene is CCC(C)C.Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-methylbutane;1,3,5-trimethylbenzene?
The InChIKey is ZOLPVXLJLYHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H12/c1-7-4-8(2)6-9(3)5-7;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;1,3,5-trimethylbenzene?
2-methylbutane;1,3,5-trimethylbenzene has a molecular weight of 192.35 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;1,3,5-trimethylbenzene is sourced from PubChem (CID 162176469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).