1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane

C14H28Cl2O5 — CID 175666458

IUPAC1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane
SMILESCCCOCC(COCCOCCCl)OCCOCCCl
InChIInChI=1S/C14H28Cl2O5/c1-2-5-19-12-14(21-11-10-18-7-4-16)13-20-9-8-17-6-3-15/h14H,2-13H2,1H3
InChIKeyZACJYINVQXFXHK-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.33
Rot. Bonds17

About 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane

1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane (PubChem CID 175666458) has the molecular formula C14H28Cl2O5 and a molecular weight of 347.28 g/mol. Its IUPAC name is 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane.

Molecular Properties

Compound Name1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane
PubChem CID175666458
Molecular FormulaC14H28Cl2O5
Molecular Weight347.28 g/mol
Exact Mass346.13
IUPAC Name1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane
SMILESCCCOCC(COCCOCCCl)OCCOCCCl
InChIInChI=1S/C14H28Cl2O5/c1-2-5-19-12-14(21-11-10-18-7-4-16)13-20-9-8-17-6-3-15/h14H,2-13H2,1H3
InChIKeyZACJYINVQXFXHK-UHFFFAOYSA-N
XLogP2.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane?
The IUPAC name of 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane (CID 175666458) is 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane.
What is the SMILES notation for 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane?
The canonical SMILES for 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane is CCCOCC(COCCOCCCl)OCCOCCCl.
What is the InChIKey of 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane?
The InChIKey is ZACJYINVQXFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Cl2O5/c1-2-5-19-12-14(21-11-10-18-7-4-16)13-20-9-8-17-6-3-15/h14H,2-13H2,1H3.
What are the key properties of 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane?
1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane has a molecular weight of 347.28 g/mol, XLogP of 2.33, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-chloroethoxy)ethoxy]-3-propoxypropane is sourced from PubChem (CID 175666458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).