cyclohexylcyclohexane

C12H22 — CID 7094

IUPACcyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyWVIIMZNLDWSIRH-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds1

About cyclohexylcyclohexane

cyclohexylcyclohexane (PubChem CID 7094) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is cyclohexylcyclohexane.

Molecular Properties

Compound Namecyclohexylcyclohexane
PubChem CID7094
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namecyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyWVIIMZNLDWSIRH-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane?
The IUPAC name of cyclohexylcyclohexane (CID 7094) is cyclohexylcyclohexane.
What is the SMILES notation for cyclohexylcyclohexane?
The canonical SMILES for cyclohexylcyclohexane is C1CCC(C2CCCCC2)CC1.
What is the InChIKey of cyclohexylcyclohexane?
The InChIKey is WVIIMZNLDWSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of cyclohexylcyclohexane?
cyclohexylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane is sourced from PubChem (CID 7094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).