2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde

C6H10Cl2O3 — CID 175210573

IUPAC2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde
SMILESO=CC(Cl)OCCOCCCl
InChIInChI=1S/C6H10Cl2O3/c7-1-2-10-3-4-11-6(8)5-9/h5-6H,1-4H2
InChIKeyYUSWDBZCCUXZBV-UHFFFAOYSA-N
MW201.05 g/mol
LogP1.02
Rot. Bonds7

About 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde

2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde (PubChem CID 175210573) has the molecular formula C6H10Cl2O3 and a molecular weight of 201.05 g/mol. Its IUPAC name is 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde
PubChem CID175210573
Molecular FormulaC6H10Cl2O3
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde
SMILESO=CC(Cl)OCCOCCCl
InChIInChI=1S/C6H10Cl2O3/c7-1-2-10-3-4-11-6(8)5-9/h5-6H,1-4H2
InChIKeyYUSWDBZCCUXZBV-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
CID 4684876
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
CID 175056400
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride
CID 159898077
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
CID 175378786
1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
CID 90948172
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
2-chloro-1-(2-chloroethoxy)propane
CID 3392808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde (CID 175210573) is 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde is O=CC(Cl)OCCOCCCl.
What is the InChIKey of 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde?
The InChIKey is YUSWDBZCCUXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O3/c7-1-2-10-3-4-11-6(8)5-9/h5-6H,1-4H2.
What are the key properties of 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde?
2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde has a molecular weight of 201.05 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 175210573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).