1,4-dioxane;1,1,1,2-tetrachloroethane

C6H10Cl4O2 — CID 70486395

IUPAC1,4-dioxane;1,1,1,2-tetrachloroethane
SMILESC1COCCO1.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C4H8O2.C2H2Cl4/c1-2-6-4-3-5-1;3-1-2(4,5)6/h1-4H2;1H2
InChIKeyUBIQLNSAYDAKJB-UHFFFAOYSA-N
MW255.96 g/mol
LogP2.63
Rot. Bonds

About 1,4-dioxane;1,1,1,2-tetrachloroethane

1,4-dioxane;1,1,1,2-tetrachloroethane (PubChem CID 70486395) has the molecular formula C6H10Cl4O2 and a molecular weight of 255.96 g/mol. Its IUPAC name is 1,4-dioxane;1,1,1,2-tetrachloroethane.

Molecular Properties

Compound Name1,4-dioxane;1,1,1,2-tetrachloroethane
PubChem CID70486395
Molecular FormulaC6H10Cl4O2
Molecular Weight255.96 g/mol
Exact Mass253.94
IUPAC Name1,4-dioxane;1,1,1,2-tetrachloroethane
SMILESC1COCCO1.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C4H8O2.C2H2Cl4/c1-2-6-4-3-5-1;3-1-2(4,5)6/h1-4H2;1H2
InChIKeyUBIQLNSAYDAKJB-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 52.63
H-Bond Donors ≤ 50
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 1,4-dioxane;1,1,1,2-tetrachloroethane?
The IUPAC name of 1,4-dioxane;1,1,1,2-tetrachloroethane (CID 70486395) is 1,4-dioxane;1,1,1,2-tetrachloroethane.
What is the SMILES notation for 1,4-dioxane;1,1,1,2-tetrachloroethane?
The canonical SMILES for 1,4-dioxane;1,1,1,2-tetrachloroethane is C1COCCO1.ClCC(Cl)(Cl)Cl.
What is the InChIKey of 1,4-dioxane;1,1,1,2-tetrachloroethane?
The InChIKey is UBIQLNSAYDAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H2Cl4/c1-2-6-4-3-5-1;3-1-2(4,5)6/h1-4H2;1H2.
What are the key properties of 1,4-dioxane;1,1,1,2-tetrachloroethane?
1,4-dioxane;1,1,1,2-tetrachloroethane has a molecular weight of 255.96 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;1,1,1,2-tetrachloroethane is sourced from PubChem (CID 70486395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).