1-(1,4-dimethylcyclohexyl)-4-ethylbenzene

C16H24 — CID 71423616

IUPAC1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
SMILESCCc1ccc(C2(C)CCC(C)CC2)cc1
InChIInChI=1S/C16H24/c1-4-14-5-7-15(8-6-14)16(3)11-9-13(2)10-12-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQHPCWICEQXWCPP-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.72
Rot. Bonds2

About 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene

1-(1,4-dimethylcyclohexyl)-4-ethylbenzene (PubChem CID 71423616) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
PubChem CID71423616
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
SMILESCCc1ccc(C2(C)CCC(C)CC2)cc1
InChIInChI=1S/C16H24/c1-4-14-5-7-15(8-6-14)16(3)11-9-13(2)10-12-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQHPCWICEQXWCPP-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene?
The IUPAC name of 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene (CID 71423616) is 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene.
What is the SMILES notation for 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene?
The canonical SMILES for 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene is CCc1ccc(C2(C)CCC(C)CC2)cc1.
What is the InChIKey of 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene?
The InChIKey is QHPCWICEQXWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-14-5-7-15(8-6-14)16(3)11-9-13(2)10-12-16/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene?
1-(1,4-dimethylcyclohexyl)-4-ethylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexyl)-4-ethylbenzene is sourced from PubChem (CID 71423616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).