1-iodocyclohexene

C6H9I — CID 519429

IUPAC1-iodocyclohexene
SMILESIC1=CCCCC1
InChIInChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyCAROGICRCNKEOD-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.88
Rot. Bonds

About 1-iodocyclohexene

1-iodocyclohexene (PubChem CID 519429) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 1-iodocyclohexene.

Molecular Properties

Compound Name1-iodocyclohexene
PubChem CID519429
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name1-iodocyclohexene
SMILESIC1=CCCCC1
InChIInChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyCAROGICRCNKEOD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodocyclohexene?
The IUPAC name of 1-iodocyclohexene (CID 519429) is 1-iodocyclohexene.
What is the SMILES notation for 1-iodocyclohexene?
The canonical SMILES for 1-iodocyclohexene is IC1=CCCCC1.
What is the InChIKey of 1-iodocyclohexene?
The InChIKey is CAROGICRCNKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-iodocyclohexene?
1-iodocyclohexene has a molecular weight of 208.04 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodocyclohexene is sourced from PubChem (CID 519429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).