2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene

C7H12Cl2O2 — CID 134937518

IUPAC2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
SMILESC=C(Cl)C(OCC)OCCCl
InChIInChI=1S/C7H12Cl2O2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3
InChIKeyXAMBIARCEURYIK-UHFFFAOYSA-N
MW199.08 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene

2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene (PubChem CID 134937518) has the molecular formula C7H12Cl2O2 and a molecular weight of 199.08 g/mol. Its IUPAC name is 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene.

Molecular Properties

Compound Name2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
PubChem CID134937518
Molecular FormulaC7H12Cl2O2
Molecular Weight199.08 g/mol
Exact Mass198.02
IUPAC Name2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene
SMILESC=C(Cl)C(OCC)OCCCl
InChIInChI=1S/C7H12Cl2O2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3
InChIKeyXAMBIARCEURYIK-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 52.36
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 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene?
The IUPAC name of 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene (CID 134937518) is 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene.
What is the SMILES notation for 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene?
The canonical SMILES for 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene is C=C(Cl)C(OCC)OCCCl.
What is the InChIKey of 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene?
The InChIKey is XAMBIARCEURYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3.
What are the key properties of 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene?
2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene has a molecular weight of 199.08 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloroethoxy)-3-ethoxyprop-1-ene is sourced from PubChem (CID 134937518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).