1-butyl-4-cyclohexylcyclohexane

C16H30 — CID 18609464

IUPAC1-butyl-4-cyclohexylcyclohexane
SMILESCCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15/h14-16H,2-13H2,1H3
InChIKeyIOXUFGXMKDSYHX-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds4

About 1-butyl-4-cyclohexylcyclohexane

1-butyl-4-cyclohexylcyclohexane (PubChem CID 18609464) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-butyl-4-cyclohexylcyclohexane.

Molecular Properties

Compound Name1-butyl-4-cyclohexylcyclohexane
PubChem CID18609464
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-butyl-4-cyclohexylcyclohexane
SMILESCCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15/h14-16H,2-13H2,1H3
InChIKeyIOXUFGXMKDSYHX-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-cyclohexylcyclohexane?
The IUPAC name of 1-butyl-4-cyclohexylcyclohexane (CID 18609464) is 1-butyl-4-cyclohexylcyclohexane.
What is the SMILES notation for 1-butyl-4-cyclohexylcyclohexane?
The canonical SMILES for 1-butyl-4-cyclohexylcyclohexane is CCCCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-butyl-4-cyclohexylcyclohexane?
The InChIKey is IOXUFGXMKDSYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15/h14-16H,2-13H2,1H3.
What are the key properties of 1-butyl-4-cyclohexylcyclohexane?
1-butyl-4-cyclohexylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-cyclohexylcyclohexane is sourced from PubChem (CID 18609464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).