1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane

C10H20ClIO3 — CID 103404994

IUPAC1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane
SMILESCOCCOCCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO3/c1-10(8-11,9-12)15-5-3-4-14-7-6-13-2/h3-9H2,1-2H3
InChIKeyHEAHATKFTNRMBI-UHFFFAOYSA-N
MW350.62 g/mol
LogP2.49
Rot. Bonds10

About 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane

1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane (PubChem CID 103404994) has the molecular formula C10H20ClIO3 and a molecular weight of 350.62 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane
PubChem CID103404994
Molecular FormulaC10H20ClIO3
Molecular Weight350.62 g/mol
Exact Mass350.01
IUPAC Name1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane
SMILESCOCCOCCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO3/c1-10(8-11,9-12)15-5-3-4-14-7-6-13-2/h3-9H2,1-2H3
InChIKeyHEAHATKFTNRMBI-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane?
The IUPAC name of 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane (CID 103404994) is 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane.
What is the SMILES notation for 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane?
The canonical SMILES for 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane is COCCOCCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane?
The InChIKey is HEAHATKFTNRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClIO3/c1-10(8-11,9-12)15-5-3-4-14-7-6-13-2/h3-9H2,1-2H3.
What are the key properties of 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane?
1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane has a molecular weight of 350.62 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-[3-(2-methoxyethoxy)propoxy]-2-methylpropane is sourced from PubChem (CID 103404994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).