3-[2-(2-chloroethoxy)ethoxy]prop-1-ene

C7H13ClO2 — CID 19835661

IUPAC3-[2-(2-chloroethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCCl
InChIInChI=1S/C7H13ClO2/c1-2-4-9-6-7-10-5-3-8/h2H,1,3-7H2
InChIKeyDZQWZQUTKZKPKA-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.44
Rot. Bonds7

About 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene

3-[2-(2-chloroethoxy)ethoxy]prop-1-ene (PubChem CID 19835661) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-(2-chloroethoxy)ethoxy]prop-1-ene
PubChem CID19835661
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name3-[2-(2-chloroethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCCl
InChIInChI=1S/C7H13ClO2/c1-2-4-9-6-7-10-5-3-8/h2H,1,3-7H2
InChIKeyDZQWZQUTKZKPKA-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.44
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene (CID 19835661) is 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene is C=CCOCCOCCCl.
What is the InChIKey of 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene?
The InChIKey is DZQWZQUTKZKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-2-4-9-6-7-10-5-3-8/h2H,1,3-7H2.
What are the key properties of 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene?
3-[2-(2-chloroethoxy)ethoxy]prop-1-ene has a molecular weight of 164.63 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 19835661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).