1-(iodomethyl)cyclohexene

C7H11I — CID 11160371

IUPAC1-(iodomethyl)cyclohexene
SMILESICC1=CCCCC1
InChIInChI=1S/C7H11I/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyOQYGPAQWJKDHBR-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.92
Rot. Bonds1

About 1-(iodomethyl)cyclohexene

1-(iodomethyl)cyclohexene (PubChem CID 11160371) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-(iodomethyl)cyclohexene.

Molecular Properties

Compound Name1-(iodomethyl)cyclohexene
PubChem CID11160371
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name1-(iodomethyl)cyclohexene
SMILESICC1=CCCCC1
InChIInChI=1S/C7H11I/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyOQYGPAQWJKDHBR-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.92
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 1-(iodomethyl)cyclohexene?
The IUPAC name of 1-(iodomethyl)cyclohexene (CID 11160371) is 1-(iodomethyl)cyclohexene.
What is the SMILES notation for 1-(iodomethyl)cyclohexene?
The canonical SMILES for 1-(iodomethyl)cyclohexene is ICC1=CCCCC1.
What is the InChIKey of 1-(iodomethyl)cyclohexene?
The InChIKey is OQYGPAQWJKDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(iodomethyl)cyclohexene?
1-(iodomethyl)cyclohexene has a molecular weight of 222.07 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)cyclohexene is sourced from PubChem (CID 11160371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).