1,2,5-trimethyl-3-(3-methylbutyl)benzene

C14H22 — CID 584289

IUPAC1,2,5-trimethyl-3-(3-methylbutyl)benzene
SMILESCc1cc(C)c(C)c(CCC(C)C)c1
InChIInChI=1S/C14H22/c1-10(2)6-7-14-9-11(3)8-12(4)13(14)5/h8-10H,6-7H2,1-5H3
InChIKeyDJVPGVSCTKOSIK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.20
Rot. Bonds3

About 1,2,5-trimethyl-3-(3-methylbutyl)benzene

1,2,5-trimethyl-3-(3-methylbutyl)benzene (PubChem CID 584289) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2,5-trimethyl-3-(3-methylbutyl)benzene.

Molecular Properties

Compound Name1,2,5-trimethyl-3-(3-methylbutyl)benzene
PubChem CID584289
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2,5-trimethyl-3-(3-methylbutyl)benzene
SMILESCc1cc(C)c(C)c(CCC(C)C)c1
InChIInChI=1S/C14H22/c1-10(2)6-7-14-9-11(3)8-12(4)13(14)5/h8-10H,6-7H2,1-5H3
InChIKeyDJVPGVSCTKOSIK-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
3-(2,3,5-trimethylphenyl)propan-1-amine
CID 117277650
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671
1-heptyl-2,3,5-trimethylbenzene
CID 90943000
methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine
CID 142255849
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-hex-5-ynyl-2,3,5-trimethylbenzene
CID 91149664
2-(aminomethyl)-4-ethyl-6-(2,3,5-trimethylphenyl)hexanoic acid
CID 69270674
1-methoxy-3-methyl-5-(3-methylbutyl)benzene
CID 123700124
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
2-methyl-6-(3-methylbutyl)aniline
CID 105437241
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3-(3-methylbutyl)benzene?
The IUPAC name of 1,2,5-trimethyl-3-(3-methylbutyl)benzene (CID 584289) is 1,2,5-trimethyl-3-(3-methylbutyl)benzene.
What is the SMILES notation for 1,2,5-trimethyl-3-(3-methylbutyl)benzene?
The canonical SMILES for 1,2,5-trimethyl-3-(3-methylbutyl)benzene is Cc1cc(C)c(C)c(CCC(C)C)c1.
What is the InChIKey of 1,2,5-trimethyl-3-(3-methylbutyl)benzene?
The InChIKey is DJVPGVSCTKOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10(2)6-7-14-9-11(3)8-12(4)13(14)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,2,5-trimethyl-3-(3-methylbutyl)benzene?
1,2,5-trimethyl-3-(3-methylbutyl)benzene has a molecular weight of 190.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3-(3-methylbutyl)benzene is sourced from PubChem (CID 584289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).