1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane

C10H20ClIO2 — CID 106449023

IUPAC1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane
SMILESCC(C)COCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2)6-13-4-5-14-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyQOSCHOADLLVMAE-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.11
Rot. Bonds8

About 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane

1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane (PubChem CID 106449023) has the molecular formula C10H20ClIO2 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane
PubChem CID106449023
Molecular FormulaC10H20ClIO2
Molecular Weight334.63 g/mol
Exact Mass334.02
IUPAC Name1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane
SMILESCC(C)COCCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2)6-13-4-5-14-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyQOSCHOADLLVMAE-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane?
The IUPAC name of 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane (CID 106449023) is 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane.
What is the SMILES notation for 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane?
The canonical SMILES for 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane is CC(C)COCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane?
The InChIKey is QOSCHOADLLVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClIO2/c1-9(2)6-13-4-5-14-10(3,7-11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane?
1-chloro-3-iodo-2-methyl-2-[2-(2-methylpropoxy)ethoxy]propane has a molecular weight of 334.63 g/mol, XLogP of 3.11, 8 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-methyl-2-[2-(2-methylpropoxy)ethoxy]propane is sourced from PubChem (CID 106449023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).