3-cyclohexyl-5-iodocyclohexene

C12H19I — CID 89170570

IUPAC3-cyclohexyl-5-iodocyclohexene
SMILESIC1CC=CC(C2CCCCC2)C1
InChIInChI=1S/C12H19I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyHEWUIAGFMJXMNS-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.34
Rot. Bonds1

About 3-cyclohexyl-5-iodocyclohexene

3-cyclohexyl-5-iodocyclohexene (PubChem CID 89170570) has the molecular formula C12H19I and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-cyclohexyl-5-iodocyclohexene.

Molecular Properties

Compound Name3-cyclohexyl-5-iodocyclohexene
PubChem CID89170570
Molecular FormulaC12H19I
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name3-cyclohexyl-5-iodocyclohexene
SMILESIC1CC=CC(C2CCCCC2)C1
InChIInChI=1S/C12H19I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyHEWUIAGFMJXMNS-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-iodocyclohexene?
The IUPAC name of 3-cyclohexyl-5-iodocyclohexene (CID 89170570) is 3-cyclohexyl-5-iodocyclohexene.
What is the SMILES notation for 3-cyclohexyl-5-iodocyclohexene?
The canonical SMILES for 3-cyclohexyl-5-iodocyclohexene is IC1CC=CC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-5-iodocyclohexene?
The InChIKey is HEWUIAGFMJXMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7,10-12H,1-3,5-6,8-9H2.
What are the key properties of 3-cyclohexyl-5-iodocyclohexene?
3-cyclohexyl-5-iodocyclohexene has a molecular weight of 290.19 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-iodocyclohexene is sourced from PubChem (CID 89170570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).