1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane

C6H10Cl2O2 — CID 150577918

IUPAC1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane
SMILESClCCOC=COCCCl
InChIInChI=1S/C6H10Cl2O2/c7-1-3-9-5-6-10-4-2-8/h5-6H,1-4H2
InChIKeyINFDDJIIOLRSMZ-UHFFFAOYSA-N
MW185.05 g/mol
LogP1.97
Rot. Bonds6

About 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane

1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane (PubChem CID 150577918) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane.

Molecular Properties

Compound Name1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane
PubChem CID150577918
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Name1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane
SMILESClCCOC=COCCCl
InChIInChI=1S/C6H10Cl2O2/c7-1-3-9-5-6-10-4-2-8/h5-6H,1-4H2
InChIKeyINFDDJIIOLRSMZ-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane?
The IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane (CID 150577918) is 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane.
What is the SMILES notation for 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane?
The canonical SMILES for 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane is ClCCOC=COCCCl.
What is the InChIKey of 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane?
The InChIKey is INFDDJIIOLRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c7-1-3-9-5-6-10-4-2-8/h5-6H,1-4H2.
What are the key properties of 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane?
1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane has a molecular weight of 185.05 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane is sourced from PubChem (CID 150577918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).