2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane

C16H30 — CID 21197455

IUPAC2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(C(C)C2CCCCC2)C1
InChIInChI=1S/C16H30/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h12-16H,4-11H2,1-3H3
InChIKeyPYFNMPMCFNJXAU-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds2

About 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane

2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane (PubChem CID 21197455) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane
PubChem CID21197455
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(C(C)C2CCCCC2)C1
InChIInChI=1S/C16H30/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h12-16H,4-11H2,1-3H3
InChIKeyPYFNMPMCFNJXAU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane?
The IUPAC name of 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane (CID 21197455) is 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane?
The canonical SMILES for 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane is CC1CCC(C)C(C(C)C2CCCCC2)C1.
What is the InChIKey of 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane?
The InChIKey is PYFNMPMCFNJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane?
2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 21197455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).