cadmium(2+);ethanol;dichloride

C2H6CdCl2O — CID 158788314

IUPACcadmium(2+);ethanol;dichloride
SMILESCCO.[Cd+2].[Cl-].[Cl-]
InChIInChI=1S/C2H6O.Cd.2ClH/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2
InChIKeyIRYOCSQQYVSTPB-UHFFFAOYSA-L
MW229.39 g/mol
LogP-6.00
Rot. Bonds

About cadmium(2+);ethanol;dichloride

cadmium(2+);ethanol;dichloride (PubChem CID 158788314) has the molecular formula C2H6CdCl2O and a molecular weight of 229.39 g/mol. Its IUPAC name is cadmium(2+);ethanol;dichloride.

Molecular Properties

Compound Namecadmium(2+);ethanol;dichloride
PubChem CID158788314
Molecular FormulaC2H6CdCl2O
Molecular Weight229.39 g/mol
Exact Mass229.88
IUPAC Namecadmium(2+);ethanol;dichloride
SMILESCCO.[Cd+2].[Cl-].[Cl-]
InChIInChI=1S/C2H6O.Cd.2ClH/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2
InChIKeyIRYOCSQQYVSTPB-UHFFFAOYSA-L
XLogP-6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 5-6.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);ethanol;dichloride?
The IUPAC name of cadmium(2+);ethanol;dichloride (CID 158788314) is cadmium(2+);ethanol;dichloride.
What is the SMILES notation for cadmium(2+);ethanol;dichloride?
The canonical SMILES for cadmium(2+);ethanol;dichloride is CCO.[Cd+2].[Cl-].[Cl-].
What is the InChIKey of cadmium(2+);ethanol;dichloride?
The InChIKey is IRYOCSQQYVSTPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O.Cd.2ClH/c1-2-3;;;/h3H,2H2,1H3;;2*1H/q;+2;;/p-2.
What are the key properties of cadmium(2+);ethanol;dichloride?
cadmium(2+);ethanol;dichloride has a molecular weight of 229.39 g/mol, XLogP of -6.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);ethanol;dichloride is sourced from PubChem (CID 158788314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).