zinc;1,1-dimethoxyethane;dichloride

C4H10Cl2O2Zn — CID 173213885

IUPACzinc;1,1-dimethoxyethane;dichloride
SMILESCOC(C)OC.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C4H10O2.2ClH.Zn/c1-4(5-2)6-3;;;/h4H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWVJPCVJCIUWXFX-UHFFFAOYSA-L
MW226.42 g/mol
LogP-5.37
Rot. Bonds2

About zinc;1,1-dimethoxyethane;dichloride

zinc;1,1-dimethoxyethane;dichloride (PubChem CID 173213885) has the molecular formula C4H10Cl2O2Zn and a molecular weight of 226.42 g/mol. Its IUPAC name is zinc;1,1-dimethoxyethane;dichloride.

Molecular Properties

Compound Namezinc;1,1-dimethoxyethane;dichloride
PubChem CID173213885
Molecular FormulaC4H10Cl2O2Zn
Molecular Weight226.42 g/mol
Exact Mass223.93
IUPAC Namezinc;1,1-dimethoxyethane;dichloride
SMILESCOC(C)OC.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C4H10O2.2ClH.Zn/c1-4(5-2)6-3;;;/h4H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWVJPCVJCIUWXFX-UHFFFAOYSA-L
XLogP-5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.42
LogP ≤ 5-5.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;1,1-dimethoxyethane;dichloride?
The IUPAC name of zinc;1,1-dimethoxyethane;dichloride (CID 173213885) is zinc;1,1-dimethoxyethane;dichloride.
What is the SMILES notation for zinc;1,1-dimethoxyethane;dichloride?
The canonical SMILES for zinc;1,1-dimethoxyethane;dichloride is COC(C)OC.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;1,1-dimethoxyethane;dichloride?
The InChIKey is WVJPCVJCIUWXFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O2.2ClH.Zn/c1-4(5-2)6-3;;;/h4H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;1,1-dimethoxyethane;dichloride?
zinc;1,1-dimethoxyethane;dichloride has a molecular weight of 226.42 g/mol, XLogP of -5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1,1-dimethoxyethane;dichloride is sourced from PubChem (CID 173213885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).