ethane-1,2-diol;trihydrochloride

C2H9Cl3O2 — CID 172793976

IUPACethane-1,2-diol;trihydrochloride
SMILESCl.Cl.Cl.OCCO
InChIInChI=1S/C2H6O2.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H
InChIKeyPYHWIDFFYDUDDX-UHFFFAOYSA-N
MW171.45 g/mol
LogP0.24
Rot. Bonds1

About ethane-1,2-diol;trihydrochloride

ethane-1,2-diol;trihydrochloride (PubChem CID 172793976) has the molecular formula C2H9Cl3O2 and a molecular weight of 171.45 g/mol. Its IUPAC name is ethane-1,2-diol;trihydrochloride.

Molecular Properties

Compound Nameethane-1,2-diol;trihydrochloride
PubChem CID172793976
Molecular FormulaC2H9Cl3O2
Molecular Weight171.45 g/mol
Exact Mass169.97
IUPAC Nameethane-1,2-diol;trihydrochloride
SMILESCl.Cl.Cl.OCCO
InChIInChI=1S/C2H6O2.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H
InChIKeyPYHWIDFFYDUDDX-UHFFFAOYSA-N
XLogP0.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.45
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87524640
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;trihydrochloride?
The IUPAC name of ethane-1,2-diol;trihydrochloride (CID 172793976) is ethane-1,2-diol;trihydrochloride.
What is the SMILES notation for ethane-1,2-diol;trihydrochloride?
The canonical SMILES for ethane-1,2-diol;trihydrochloride is Cl.Cl.Cl.OCCO.
What is the InChIKey of ethane-1,2-diol;trihydrochloride?
The InChIKey is PYHWIDFFYDUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.3ClH/c3-1-2-4;;;/h3-4H,1-2H2;3*1H.
What are the key properties of ethane-1,2-diol;trihydrochloride?
ethane-1,2-diol;trihydrochloride has a molecular weight of 171.45 g/mol, XLogP of 0.24, 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;trihydrochloride is sourced from PubChem (CID 172793976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).