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

C16H30 — CID 154060560

IUPAC2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(CCC2CCCCC2)C1
InChIInChI=1S/C16H30/c1-13-8-9-14(2)16(12-13)11-10-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyBOANKLMHXYQBLC-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

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

2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane (PubChem CID 154060560) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
PubChem CID154060560
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(CCC2CCCCC2)C1
InChIInChI=1S/C16H30/c1-13-8-9-14(2)16(12-13)11-10-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyBOANKLMHXYQBLC-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
2-(2-cyclohexylethyl)cyclopropan-1-amine
CID 131112009
1-methyl-5-propylcyclononane
CID 54361658
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
CID 58552482

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane?
The IUPAC name of 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane (CID 154060560) is 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane?
The canonical SMILES for 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane is CC1CCC(C)C(CCC2CCCCC2)C1.
What is the InChIKey of 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane?
The InChIKey is BOANKLMHXYQBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-13-8-9-14(2)16(12-13)11-10-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane?
2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 154060560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).