1-methyl-2-(4-methylhexyl)benzene

C14H22 — CID 123235312

IUPAC1-methyl-2-(4-methylhexyl)benzene
SMILESCCC(C)CCCc1ccccc1C
InChIInChI=1S/C14H22/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3
InChIKeySEHNNUPJWTYBGV-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.36
Rot. Bonds5

About 1-methyl-2-(4-methylhexyl)benzene

1-methyl-2-(4-methylhexyl)benzene (PubChem CID 123235312) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-methyl-2-(4-methylhexyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(4-methylhexyl)benzene
PubChem CID123235312
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-methyl-2-(4-methylhexyl)benzene
SMILESCCC(C)CCCc1ccccc1C
InChIInChI=1S/C14H22/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3
InChIKeySEHNNUPJWTYBGV-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
1-(4-bromo-5-methylhexyl)-2-methylbenzene
CID 64508318
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
(3S,4S)-8-(2-methylphenyl)octane-3,4-diol
CID 138511161
1,4-bis(4-methylhexyl)benzene
CID 145016441
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
CID 11471040
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
CID 176975448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylhexyl)benzene?
The IUPAC name of 1-methyl-2-(4-methylhexyl)benzene (CID 123235312) is 1-methyl-2-(4-methylhexyl)benzene.
What is the SMILES notation for 1-methyl-2-(4-methylhexyl)benzene?
The canonical SMILES for 1-methyl-2-(4-methylhexyl)benzene is CCC(C)CCCc1ccccc1C.
What is the InChIKey of 1-methyl-2-(4-methylhexyl)benzene?
The InChIKey is SEHNNUPJWTYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-12(2)8-7-11-14-10-6-5-9-13(14)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3.
What are the key properties of 1-methyl-2-(4-methylhexyl)benzene?
1-methyl-2-(4-methylhexyl)benzene has a molecular weight of 190.33 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylhexyl)benzene is sourced from PubChem (CID 123235312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).