4-iodocyclohexene

C6H9I — CID 527574

IUPAC4-iodocyclohexene
SMILESIC1CC=CCC1
InChIInChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyAOIRWGGRZCRXCV-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.53
Rot. Bonds

About 4-iodocyclohexene

4-iodocyclohexene (PubChem CID 527574) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 4-iodocyclohexene.

Molecular Properties

Compound Name4-iodocyclohexene
PubChem CID527574
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name4-iodocyclohexene
SMILESIC1CC=CCC1
InChIInChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyAOIRWGGRZCRXCV-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.53
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 4-iodocyclohexene?
The IUPAC name of 4-iodocyclohexene (CID 527574) is 4-iodocyclohexene.
What is the SMILES notation for 4-iodocyclohexene?
The canonical SMILES for 4-iodocyclohexene is IC1CC=CCC1.
What is the InChIKey of 4-iodocyclohexene?
The InChIKey is AOIRWGGRZCRXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2.
What are the key properties of 4-iodocyclohexene?
4-iodocyclohexene has a molecular weight of 208.04 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodocyclohexene is sourced from PubChem (CID 527574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).