1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene

C16H24 — CID 140825666

IUPAC1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
SMILESCc1ccc(C2(C)CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H24/c1-13-5-7-14(8-6-13)16(4)11-9-15(2,3)10-12-16/h5-8H,9-12H2,1-4H3
InChIKeyJRAJTABQMKQWSE-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.85
Rot. Bonds1

About 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene

1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene (PubChem CID 140825666) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
PubChem CID140825666
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
SMILESCc1ccc(C2(C)CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H24/c1-13-5-7-14(8-6-13)16(4)11-9-15(2,3)10-12-16/h5-8H,9-12H2,1-4H3
InChIKeyJRAJTABQMKQWSE-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene?
The IUPAC name of 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene (CID 140825666) is 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene.
What is the SMILES notation for 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene?
The canonical SMILES for 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene is Cc1ccc(C2(C)CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene?
The InChIKey is JRAJTABQMKQWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-13-5-7-14(8-6-13)16(4)11-9-15(2,3)10-12-16/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene?
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene is sourced from PubChem (CID 140825666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).