ethane-1,2-diol;tetrahydrochloride

C2H10Cl4O2 — CID 19917613

IUPACethane-1,2-diol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCCO
InChIInChI=1S/C2H6O2.4ClH/c3-1-2-4;;;;/h3-4H,1-2H2;4*1H
InChIKeyKHTHZPSSACTKQB-UHFFFAOYSA-N
MW207.91 g/mol
LogP0.66
Rot. Bonds1

About ethane-1,2-diol;tetrahydrochloride

ethane-1,2-diol;tetrahydrochloride (PubChem CID 19917613) has the molecular formula C2H10Cl4O2 and a molecular weight of 207.91 g/mol. Its IUPAC name is ethane-1,2-diol;tetrahydrochloride.

Molecular Properties

Compound Nameethane-1,2-diol;tetrahydrochloride
PubChem CID19917613
Molecular FormulaC2H10Cl4O2
Molecular Weight207.91 g/mol
Exact Mass205.94
IUPAC Nameethane-1,2-diol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.OCCO
InChIInChI=1S/C2H6O2.4ClH/c3-1-2-4;;;;/h3-4H,1-2H2;4*1H
InChIKeyKHTHZPSSACTKQB-UHFFFAOYSA-N
XLogP0.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.91
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cesium;boranuide;ethane-1,2-diol
CID 139212077
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;tetrahydrochloride?
The IUPAC name of ethane-1,2-diol;tetrahydrochloride (CID 19917613) is ethane-1,2-diol;tetrahydrochloride.
What is the SMILES notation for ethane-1,2-diol;tetrahydrochloride?
The canonical SMILES for ethane-1,2-diol;tetrahydrochloride is Cl.Cl.Cl.Cl.OCCO.
What is the InChIKey of ethane-1,2-diol;tetrahydrochloride?
The InChIKey is KHTHZPSSACTKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.4ClH/c3-1-2-4;;;;/h3-4H,1-2H2;4*1H.
What are the key properties of ethane-1,2-diol;tetrahydrochloride?
ethane-1,2-diol;tetrahydrochloride has a molecular weight of 207.91 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;tetrahydrochloride is sourced from PubChem (CID 19917613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).