1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane

C10H20Cl2O3 — CID 152573323

IUPAC1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane
SMILESCCOC(CCl)COCC(CCl)OCC
InChIInChI=1S/C10H20Cl2O3/c1-3-14-9(5-11)7-13-8-10(6-12)15-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYRYJUPCVWGGZCM-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.29
Rot. Bonds10

About 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane

1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane (PubChem CID 152573323) has the molecular formula C10H20Cl2O3 and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane
PubChem CID152573323
Molecular FormulaC10H20Cl2O3
Molecular Weight259.17 g/mol
Exact Mass258.08
IUPAC Name1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane
SMILESCCOC(CCl)COCC(CCl)OCC
InChIInChI=1S/C10H20Cl2O3/c1-3-14-9(5-11)7-13-8-10(6-12)15-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYRYJUPCVWGGZCM-UHFFFAOYSA-N
XLogP2.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane?
The IUPAC name of 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane (CID 152573323) is 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane.
What is the SMILES notation for 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane?
The canonical SMILES for 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane is CCOC(CCl)COCC(CCl)OCC.
What is the InChIKey of 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane?
The InChIKey is YRYJUPCVWGGZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O3/c1-3-14-9(5-11)7-13-8-10(6-12)15-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane?
1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane has a molecular weight of 259.17 g/mol, XLogP of 2.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane is sourced from PubChem (CID 152573323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).