1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane

C12H23IO3 — CID 114775131

IUPAC1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
SMILESCOCCOCCOC1(CI)CCCCC1
InChIInChI=1S/C12H23IO3/c1-14-7-8-15-9-10-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3
InChIKeyFWNLHKJOQQEOHR-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.80
Rot. Bonds8

About 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane

1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane (PubChem CID 114775131) has the molecular formula C12H23IO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane.

Molecular Properties

Compound Name1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
PubChem CID114775131
Molecular FormulaC12H23IO3
Molecular Weight342.22 g/mol
Exact Mass342.07
IUPAC Name1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
SMILESCOCCOCCOC1(CI)CCCCC1
InChIInChI=1S/C12H23IO3/c1-14-7-8-15-9-10-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3
InChIKeyFWNLHKJOQQEOHR-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane
CID 165489439
tert-butyl 4-(iodomethyl)-4-[2-(2-methoxyethoxy)ethoxy]piperidine-1-carboxylate
CID 104969779
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
CID 13180892
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane
CID 165489183

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane?
The IUPAC name of 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane (CID 114775131) is 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane.
What is the SMILES notation for 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane?
The canonical SMILES for 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane is COCCOCCOC1(CI)CCCCC1.
What is the InChIKey of 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane?
The InChIKey is FWNLHKJOQQEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23IO3/c1-14-7-8-15-9-10-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3.
What are the key properties of 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane?
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane has a molecular weight of 342.22 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane is sourced from PubChem (CID 114775131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).