ethoxyethane;1,1,2,2-tetrachloroethane

C6H12Cl4O — CID 174880483

IUPACethoxyethane;1,1,2,2-tetrachloroethane
SMILESCCOCC.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C4H10O.C2H2Cl4/c1-3-5-4-2;3-1(4)2(5)6/h3-4H2,1-2H3;1-2H
InChIKeyACLYKYMKXAUANR-UHFFFAOYSA-N
MW241.97 g/mol
LogP3.64
Rot. Bonds3

About ethoxyethane;1,1,2,2-tetrachloroethane

ethoxyethane;1,1,2,2-tetrachloroethane (PubChem CID 174880483) has the molecular formula C6H12Cl4O and a molecular weight of 241.97 g/mol. Its IUPAC name is ethoxyethane;1,1,2,2-tetrachloroethane.

Molecular Properties

Compound Nameethoxyethane;1,1,2,2-tetrachloroethane
PubChem CID174880483
Molecular FormulaC6H12Cl4O
Molecular Weight241.97 g/mol
Exact Mass239.96
IUPAC Nameethoxyethane;1,1,2,2-tetrachloroethane
SMILESCCOCC.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C4H10O.C2H2Cl4/c1-3-5-4-2;3-1(4)2(5)6/h3-4H2,1-2H3;1-2H
InChIKeyACLYKYMKXAUANR-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.97
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloroform;ethanol;ethoxyethane
CID 87752781
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
2,2-dichloroethanol;ethoxyethane
CID 22662862
azanium;chloroform;ethoxyethane;methanol;hydroxide
CID 19437863
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
ethoxyethane;tetrachloromethane
CID 87294863
chloroform;ethoxyethane;hexane;methanol
CID 173390490

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1,1,2,2-tetrachloroethane?
The IUPAC name of ethoxyethane;1,1,2,2-tetrachloroethane (CID 174880483) is ethoxyethane;1,1,2,2-tetrachloroethane.
What is the SMILES notation for ethoxyethane;1,1,2,2-tetrachloroethane?
The canonical SMILES for ethoxyethane;1,1,2,2-tetrachloroethane is CCOCC.ClC(Cl)C(Cl)Cl.
What is the InChIKey of ethoxyethane;1,1,2,2-tetrachloroethane?
The InChIKey is ACLYKYMKXAUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H2Cl4/c1-3-5-4-2;3-1(4)2(5)6/h3-4H2,1-2H3;1-2H.
What are the key properties of ethoxyethane;1,1,2,2-tetrachloroethane?
ethoxyethane;1,1,2,2-tetrachloroethane has a molecular weight of 241.97 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1,1,2,2-tetrachloroethane is sourced from PubChem (CID 174880483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).