1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane

C12H21IO2 — CID 11034668

IUPAC1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane
SMILESC=CC1(OC(CI)OCC)CCCCC1
InChIInChI=1S/C12H21IO2/c1-3-12(8-6-5-7-9-12)15-11(10-13)14-4-2/h3,11H,1,4-10H2,2H3
InChIKeyYCLGSHYQQPIAGH-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.69
Rot. Bonds6

About 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane

1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane (PubChem CID 11034668) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane
PubChem CID11034668
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane
SMILESC=CC1(OC(CI)OCC)CCCCC1
InChIInChI=1S/C12H21IO2/c1-3-12(8-6-5-7-9-12)15-11(10-13)14-4-2/h3,11H,1,4-10H2,2H3
InChIKeyYCLGSHYQQPIAGH-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane 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

[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 20336688
(E)-3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
CID 20336712
1-iodo-3-(1-ethoxyethoxy)-3-(3-ethylcyclobutyl)-1E-propene
CID 23344462
1-[1-(1-Ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethylcyclobutane
CID 54216712
3-(1-Ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
CID 54398761
[(1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 54433773
[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane
CID 88783077
[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 88786704
[(Z)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 88794883
2-(1-Ethenylcyclohexyl)oxyoxane
CID 140985775
3-(2-Iodo-1-methoxyprop-2-enoxy)-2,3-dimethylhepta-1,6-diene
CID 10711877
(3R)-3-(2-iodo-1-methoxyprop-2-enoxy)-2,3-dimethylhepta-1,6-diene
CID 101986648

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane?
The IUPAC name of 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane (CID 11034668) is 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane.
What is the SMILES notation for 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane?
The canonical SMILES for 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane is C=CC1(OC(CI)OCC)CCCCC1.
What is the InChIKey of 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane?
The InChIKey is YCLGSHYQQPIAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2/c1-3-12(8-6-5-7-9-12)15-11(10-13)14-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane?
1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane has a molecular weight of 324.20 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane is sourced from PubChem (CID 11034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).