cyclohexylcyclohexane;diiodomethane

C13H24I2 — CID 123720179

IUPACcyclohexylcyclohexane;diiodomethane
SMILESC1CCC(C2CCCCC2)CC1.ICI
InChIInChI=1S/C12H22.CH2I2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1-3/h11-12H,1-10H2;1H2
InChIKeyYPZNTMKWLNSBEA-UHFFFAOYSA-N
MW434.14 g/mol
LogP5.96
Rot. Bonds1

About cyclohexylcyclohexane;diiodomethane

cyclohexylcyclohexane;diiodomethane (PubChem CID 123720179) has the molecular formula C13H24I2 and a molecular weight of 434.14 g/mol. Its IUPAC name is cyclohexylcyclohexane;diiodomethane.

Molecular Properties

Compound Namecyclohexylcyclohexane;diiodomethane
PubChem CID123720179
Molecular FormulaC13H24I2
Molecular Weight434.14 g/mol
Exact Mass434.00
IUPAC Namecyclohexylcyclohexane;diiodomethane
SMILESC1CCC(C2CCCCC2)CC1.ICI
InChIInChI=1S/C12H22.CH2I2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1-3/h11-12H,1-10H2;1H2
InChIKeyYPZNTMKWLNSBEA-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.14
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze cyclohexylcyclohexane;diiodomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;diiodomethane?
The IUPAC name of cyclohexylcyclohexane;diiodomethane (CID 123720179) is cyclohexylcyclohexane;diiodomethane.
What is the SMILES notation for cyclohexylcyclohexane;diiodomethane?
The canonical SMILES for cyclohexylcyclohexane;diiodomethane is C1CCC(C2CCCCC2)CC1.ICI.
What is the InChIKey of cyclohexylcyclohexane;diiodomethane?
The InChIKey is YPZNTMKWLNSBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.CH2I2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1-3/h11-12H,1-10H2;1H2.
What are the key properties of cyclohexylcyclohexane;diiodomethane?
cyclohexylcyclohexane;diiodomethane has a molecular weight of 434.14 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;diiodomethane is sourced from PubChem (CID 123720179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).