1-(1-iodoethyl)cyclohexene

C8H13I — CID 126621262

IUPAC1-(1-iodoethyl)cyclohexene
SMILESCC(I)C1=CCCCC1
InChIInChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyVWDPZQJYLURGEX-UHFFFAOYSA-N
MW236.10 g/mol
LogP3.31
Rot. Bonds1

About 1-(1-iodoethyl)cyclohexene

1-(1-iodoethyl)cyclohexene (PubChem CID 126621262) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 1-(1-iodoethyl)cyclohexene.

Molecular Properties

Compound Name1-(1-iodoethyl)cyclohexene
PubChem CID126621262
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name1-(1-iodoethyl)cyclohexene
SMILESCC(I)C1=CCCCC1
InChIInChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyVWDPZQJYLURGEX-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.31
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'}

Analyze 1-(1-iodoethyl)cyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
cyclohexen-1-ylmethanediol
CID 21392290
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexene
CID 23233576
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106653532

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethyl)cyclohexene?
The IUPAC name of 1-(1-iodoethyl)cyclohexene (CID 126621262) is 1-(1-iodoethyl)cyclohexene.
What is the SMILES notation for 1-(1-iodoethyl)cyclohexene?
The canonical SMILES for 1-(1-iodoethyl)cyclohexene is CC(I)C1=CCCCC1.
What is the InChIKey of 1-(1-iodoethyl)cyclohexene?
The InChIKey is VWDPZQJYLURGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-(1-iodoethyl)cyclohexene?
1-(1-iodoethyl)cyclohexene has a molecular weight of 236.10 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethyl)cyclohexene is sourced from PubChem (CID 126621262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).