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

C13H26Cl2O4 — CID 71321218

IUPAC2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
SMILESCC(COCC(C)OCC(C)OCCCl)OCCCl
InChIInChI=1S/C13H26Cl2O4/c1-11(17-6-4-14)8-16-9-12(2)19-10-13(3)18-7-5-15/h11-13H,4-10H2,1-3H3
InChIKeyAVVFODKNINOSCU-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.70
Rot. Bonds13

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

2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane (PubChem CID 71321218) has the molecular formula C13H26Cl2O4 and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane.

Molecular Properties

Compound Name2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
PubChem CID71321218
Molecular FormulaC13H26Cl2O4
Molecular Weight317.25 g/mol
Exact Mass316.12
IUPAC Name2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
SMILESCC(COCC(C)OCC(C)OCCCl)OCCCl
InChIInChI=1S/C13H26Cl2O4/c1-11(17-6-4-14)8-16-9-12(2)19-10-13(3)18-7-5-15/h11-13H,4-10H2,1-3H3
InChIKeyAVVFODKNINOSCU-UHFFFAOYSA-N
XLogP2.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane?
The IUPAC name of 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane (CID 71321218) is 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane.
What is the SMILES notation for 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane?
The canonical SMILES for 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane is CC(COCC(C)OCC(C)OCCCl)OCCCl.
What is the InChIKey of 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane?
The InChIKey is AVVFODKNINOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Cl2O4/c1-11(17-6-4-14)8-16-9-12(2)19-10-13(3)18-7-5-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane?
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane has a molecular weight of 317.25 g/mol, XLogP of 2.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane is sourced from PubChem (CID 71321218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).