1-(1-cyclohexylethyl)-4-ethylcyclohexane

C16H30 — CID 549955

IUPAC1-(1-cyclohexylethyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(C)C2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h13-16H,3-12H2,1-2H3
InChIKeyBHLBNFHYPSEJST-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

About 1-(1-cyclohexylethyl)-4-ethylcyclohexane

1-(1-cyclohexylethyl)-4-ethylcyclohexane (PubChem CID 549955) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-4-ethylcyclohexane
PubChem CID549955
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(1-cyclohexylethyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(C)C2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h13-16H,3-12H2,1-2H3
InChIKeyBHLBNFHYPSEJST-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-4-ethylcyclohexane?
The IUPAC name of 1-(1-cyclohexylethyl)-4-ethylcyclohexane (CID 549955) is 1-(1-cyclohexylethyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(1-cyclohexylethyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(1-cyclohexylethyl)-4-ethylcyclohexane is CCC1CCC(C(C)C2CCCCC2)CC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-4-ethylcyclohexane?
The InChIKey is BHLBNFHYPSEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(1-cyclohexylethyl)-4-ethylcyclohexane?
1-(1-cyclohexylethyl)-4-ethylcyclohexane 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 1-(1-cyclohexylethyl)-4-ethylcyclohexane is sourced from PubChem (CID 549955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).