2-chloro-1-(2-chloroethoxy)propane

C5H10Cl2O — CID 3392808

IUPAC2-chloro-1-(2-chloroethoxy)propane
SMILESCC(Cl)COCCCl
InChIInChI=1S/C5H10Cl2O/c1-5(7)4-8-3-2-6/h5H,2-4H2,1H3
InChIKeyAIOGEBYNUSLMPF-UHFFFAOYSA-N
MW157.04 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-1-(2-chloroethoxy)propane

2-chloro-1-(2-chloroethoxy)propane (PubChem CID 3392808) has the molecular formula C5H10Cl2O and a molecular weight of 157.04 g/mol. Its IUPAC name is 2-chloro-1-(2-chloroethoxy)propane.

Molecular Properties

Compound Name2-chloro-1-(2-chloroethoxy)propane
PubChem CID3392808
Molecular FormulaC5H10Cl2O
Molecular Weight157.04 g/mol
Exact Mass156.01
IUPAC Name2-chloro-1-(2-chloroethoxy)propane
SMILESCC(Cl)COCCCl
InChIInChI=1S/C5H10Cl2O/c1-5(7)4-8-3-2-6/h5H,2-4H2,1H3
InChIKeyAIOGEBYNUSLMPF-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-1-(2-chloroethoxy)propane?
The IUPAC name of 2-chloro-1-(2-chloroethoxy)propane (CID 3392808) is 2-chloro-1-(2-chloroethoxy)propane.
What is the SMILES notation for 2-chloro-1-(2-chloroethoxy)propane?
The canonical SMILES for 2-chloro-1-(2-chloroethoxy)propane is CC(Cl)COCCCl.
What is the InChIKey of 2-chloro-1-(2-chloroethoxy)propane?
The InChIKey is AIOGEBYNUSLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O/c1-5(7)4-8-3-2-6/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-1-(2-chloroethoxy)propane?
2-chloro-1-(2-chloroethoxy)propane has a molecular weight of 157.04 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloroethoxy)propane is sourced from PubChem (CID 3392808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).