1-(cyclohexylmethoxy)-2-iodocyclohexane

C13H23IO — CID 114774023

IUPAC1-(cyclohexylmethoxy)-2-iodocyclohexane
SMILESIC1CCCCC1OCC1CCCCC1
InChIInChI=1S/C13H23IO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h11-13H,1-10H2
InChIKeyXQFGPYSCJXEGMJ-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.33
Rot. Bonds3

About 1-(cyclohexylmethoxy)-2-iodocyclohexane

1-(cyclohexylmethoxy)-2-iodocyclohexane (PubChem CID 114774023) has the molecular formula C13H23IO and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-2-iodocyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-2-iodocyclohexane
PubChem CID114774023
Molecular FormulaC13H23IO
Molecular Weight322.23 g/mol
Exact Mass322.08
IUPAC Name1-(cyclohexylmethoxy)-2-iodocyclohexane
SMILESIC1CCCCC1OCC1CCCCC1
InChIInChI=1S/C13H23IO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h11-13H,1-10H2
InChIKeyXQFGPYSCJXEGMJ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethoxy)-2-iodocyclohexane 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-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873
3-(cycloheptylmethoxy)-4-iodooxolane
CID 130495065
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
S-[[2-(cyclooctylmethoxy)cyclooctyl]methyl] ethanethioate
CID 134457265
S-[[2-(cyclooctylmethoxy)cyclononyl]methyl] ethanethioate
CID 155130992
2-(cyclohexylmethoxy)-4-ethylcyclohexan-1-ol
CID 62383405
6-(cyclohexylmethoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847561

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-2-iodocyclohexane?
The IUPAC name of 1-(cyclohexylmethoxy)-2-iodocyclohexane (CID 114774023) is 1-(cyclohexylmethoxy)-2-iodocyclohexane.
What is the SMILES notation for 1-(cyclohexylmethoxy)-2-iodocyclohexane?
The canonical SMILES for 1-(cyclohexylmethoxy)-2-iodocyclohexane is IC1CCCCC1OCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxy)-2-iodocyclohexane?
The InChIKey is XQFGPYSCJXEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h11-13H,1-10H2.
What are the key properties of 1-(cyclohexylmethoxy)-2-iodocyclohexane?
1-(cyclohexylmethoxy)-2-iodocyclohexane has a molecular weight of 322.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-2-iodocyclohexane is sourced from PubChem (CID 114774023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).