1-[1-(2-chloroethoxy)ethoxy]propane

C7H15ClO2 — CID 55302393

IUPAC1-[1-(2-chloroethoxy)ethoxy]propane
SMILESCCCOC(C)OCCCl
InChIInChI=1S/C7H15ClO2/c1-3-5-9-7(2)10-6-4-8/h7H,3-6H2,1-2H3
InChIKeySXVRBLHJPIGGFA-UHFFFAOYSA-N
MW166.65 g/mol
LogP2.01
Rot. Bonds6

About 1-[1-(2-chloroethoxy)ethoxy]propane

1-[1-(2-chloroethoxy)ethoxy]propane (PubChem CID 55302393) has the molecular formula C7H15ClO2 and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-[1-(2-chloroethoxy)ethoxy]propane.

Molecular Properties

Compound Name1-[1-(2-chloroethoxy)ethoxy]propane
PubChem CID55302393
Molecular FormulaC7H15ClO2
Molecular Weight166.65 g/mol
Exact Mass166.08
IUPAC Name1-[1-(2-chloroethoxy)ethoxy]propane
SMILESCCCOC(C)OCCCl
InChIInChI=1S/C7H15ClO2/c1-3-5-9-7(2)10-6-4-8/h7H,3-6H2,1-2H3
InChIKeySXVRBLHJPIGGFA-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroethoxy)ethoxy]propane?
The IUPAC name of 1-[1-(2-chloroethoxy)ethoxy]propane (CID 55302393) is 1-[1-(2-chloroethoxy)ethoxy]propane.
What is the SMILES notation for 1-[1-(2-chloroethoxy)ethoxy]propane?
The canonical SMILES for 1-[1-(2-chloroethoxy)ethoxy]propane is CCCOC(C)OCCCl.
What is the InChIKey of 1-[1-(2-chloroethoxy)ethoxy]propane?
The InChIKey is SXVRBLHJPIGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2/c1-3-5-9-7(2)10-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2-chloroethoxy)ethoxy]propane?
1-[1-(2-chloroethoxy)ethoxy]propane has a molecular weight of 166.65 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroethoxy)ethoxy]propane is sourced from PubChem (CID 55302393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).