2,2-dichloroethanol;ethoxyethane

C6H14Cl2O2 — CID 22662862

IUPAC2,2-dichloroethanol;ethoxyethane
SMILESCCOCC.OCC(Cl)Cl
InChIInChI=1S/C4H10O.C2H4Cl2O/c1-3-5-4-2;3-2(4)1-5/h3-4H2,1-2H3;2,5H,1H2
InChIKeyXLPSDKQFUMNTQL-UHFFFAOYSA-N
MW189.08 g/mol
LogP1.83
Rot. Bonds3

About 2,2-dichloroethanol;ethoxyethane

2,2-dichloroethanol;ethoxyethane (PubChem CID 22662862) has the molecular formula C6H14Cl2O2 and a molecular weight of 189.08 g/mol. Its IUPAC name is 2,2-dichloroethanol;ethoxyethane.

Molecular Properties

Compound Name2,2-dichloroethanol;ethoxyethane
PubChem CID22662862
Molecular FormulaC6H14Cl2O2
Molecular Weight189.08 g/mol
Exact Mass188.04
IUPAC Name2,2-dichloroethanol;ethoxyethane
SMILESCCOCC.OCC(Cl)Cl
InChIInChI=1S/C4H10O.C2H4Cl2O/c1-3-5-4-2;3-2(4)1-5/h3-4H2,1-2H3;2,5H,1H2
InChIKeyXLPSDKQFUMNTQL-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethanol;ethoxyethane?
The IUPAC name of 2,2-dichloroethanol;ethoxyethane (CID 22662862) is 2,2-dichloroethanol;ethoxyethane.
What is the SMILES notation for 2,2-dichloroethanol;ethoxyethane?
The canonical SMILES for 2,2-dichloroethanol;ethoxyethane is CCOCC.OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethanol;ethoxyethane?
The InChIKey is XLPSDKQFUMNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H4Cl2O/c1-3-5-4-2;3-2(4)1-5/h3-4H2,1-2H3;2,5H,1H2.
What are the key properties of 2,2-dichloroethanol;ethoxyethane?
2,2-dichloroethanol;ethoxyethane has a molecular weight of 189.08 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethanol;ethoxyethane is sourced from PubChem (CID 22662862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).