1,2,4-trimethyl-5-(2-methylpropyl)benzene

C13H20 — CID 22968949

IUPAC1,2,4-trimethyl-5-(2-methylpropyl)benzene
SMILESCc1cc(C)c(CC(C)C)cc1C
InChIInChI=1S/C13H20/c1-9(2)6-13-8-11(4)10(3)7-12(13)5/h7-9H,6H2,1-5H3
InChIKeyHTTRCGIYFZYUFH-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.81
Rot. Bonds2

About 1,2,4-trimethyl-5-(2-methylpropyl)benzene

1,2,4-trimethyl-5-(2-methylpropyl)benzene (PubChem CID 22968949) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-5-(2-methylpropyl)benzene
PubChem CID22968949
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2,4-trimethyl-5-(2-methylpropyl)benzene
SMILESCc1cc(C)c(CC(C)C)cc1C
InChIInChI=1S/C13H20/c1-9(2)6-13-8-11(4)10(3)7-12(13)5/h7-9H,6H2,1-5H3
InChIKeyHTTRCGIYFZYUFH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
1-(2-chloropropyl)-2,4,5-trimethylbenzene
CID 163503442
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
CID 130612651
methyl 3-methyl-2-[(2,4,5-trimethylphenyl)methyl]butanoate
CID 116931426
6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 144980703
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 177015926
CID 162253239
CID 162253239
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-(2-methylpropyl)benzene?
The IUPAC name of 1,2,4-trimethyl-5-(2-methylpropyl)benzene (CID 22968949) is 1,2,4-trimethyl-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1,2,4-trimethyl-5-(2-methylpropyl)benzene?
The canonical SMILES for 1,2,4-trimethyl-5-(2-methylpropyl)benzene is Cc1cc(C)c(CC(C)C)cc1C.
What is the InChIKey of 1,2,4-trimethyl-5-(2-methylpropyl)benzene?
The InChIKey is HTTRCGIYFZYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)6-13-8-11(4)10(3)7-12(13)5/h7-9H,6H2,1-5H3.
What are the key properties of 1,2,4-trimethyl-5-(2-methylpropyl)benzene?
1,2,4-trimethyl-5-(2-methylpropyl)benzene has a molecular weight of 176.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-(2-methylpropyl)benzene is sourced from PubChem (CID 22968949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).