1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane

C7H14ClIO2 — CID 114773136

IUPAC1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane
SMILESCOCCOC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO2/c1-7(5-8,6-9)11-4-3-10-2/h3-6H2,1-2H3
InChIKeyXJCWOHOUZRNASJ-UHFFFAOYSA-N
MW292.54 g/mol
LogP2.08
Rot. Bonds6

About 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane

1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane (PubChem CID 114773136) has the molecular formula C7H14ClIO2 and a molecular weight of 292.54 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane
PubChem CID114773136
Molecular FormulaC7H14ClIO2
Molecular Weight292.54 g/mol
Exact Mass291.97
IUPAC Name1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane
SMILESCOCCOC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO2/c1-7(5-8,6-9)11-4-3-10-2/h3-6H2,1-2H3
InChIKeyXJCWOHOUZRNASJ-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-Propoxy-3-chloromethyloxetane
CID 129792274
2-(Chloromethyl)-2-methyl-1,4-dioxane
CID 67584041
1-Chloro-2,3-dimethoxy-2-methylpropane
CID 121288257
1-Chloro-2-(2-methoxyethoxy)-2-methylpropane
CID 12398943
3-[(1-Chloro-3-iodo-2-methylpropan-2-yl)oxy]oxetane
CID 102607663
1-Chloro-3-iodo-2-[2-(3-methoxypropoxy)ethoxy]-2-methylpropane
CID 103180294
1-Chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane
CID 103404994
1-Chloro-2-[(1-ethoxypropan-2-yl)oxy]-3-iodo-2-methylpropane
CID 103490080
1-Chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane
CID 106449023
1-Chloro-2-ethoxy-3-iodo-2-methylpropane
CID 114771911
1-Chloro-3-iodo-2-methyl-2-propoxypropane
CID 114772009
1-Chloro-3-iodo-2-methyl-2-(propan-2-yloxy)propane
CID 114772127

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane?
The IUPAC name of 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane (CID 114773136) is 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane.
What is the SMILES notation for 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane?
The canonical SMILES for 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane is COCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane?
The InChIKey is XJCWOHOUZRNASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClIO2/c1-7(5-8,6-9)11-4-3-10-2/h3-6H2,1-2H3.
What are the key properties of 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane?
1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane has a molecular weight of 292.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-(2-methoxyethoxy)-2-methylpropane is sourced from PubChem (CID 114773136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).