3-methoxypropane-1,2-diol;dihydrochloride

C4H12Cl2O3 — CID 87908148

IUPAC3-methoxypropane-1,2-diol;dihydrochloride
SMILESCOCC(O)CO.Cl.Cl
InChIInChI=1S/C4H10O3.2ClH/c1-7-3-4(6)2-5;;/h4-6H,2-3H2,1H3;2*1H
InChIKeyHHRWAXPGIUNOST-UHFFFAOYSA-N
MW179.04 g/mol
LogP-0.17
Rot. Bonds3

About 3-methoxypropane-1,2-diol;dihydrochloride

3-methoxypropane-1,2-diol;dihydrochloride (PubChem CID 87908148) has the molecular formula C4H12Cl2O3 and a molecular weight of 179.04 g/mol. Its IUPAC name is 3-methoxypropane-1,2-diol;dihydrochloride.

Molecular Properties

Compound Name3-methoxypropane-1,2-diol;dihydrochloride
PubChem CID87908148
Molecular FormulaC4H12Cl2O3
Molecular Weight179.04 g/mol
Exact Mass178.02
IUPAC Name3-methoxypropane-1,2-diol;dihydrochloride
SMILESCOCC(O)CO.Cl.Cl
InChIInChI=1S/C4H10O3.2ClH/c1-7-3-4(6)2-5;;/h4-6H,2-3H2,1H3;2*1H
InChIKeyHHRWAXPGIUNOST-UHFFFAOYSA-N
XLogP-0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropane-1,2-diol;dihydrochloride?
The IUPAC name of 3-methoxypropane-1,2-diol;dihydrochloride (CID 87908148) is 3-methoxypropane-1,2-diol;dihydrochloride.
What is the SMILES notation for 3-methoxypropane-1,2-diol;dihydrochloride?
The canonical SMILES for 3-methoxypropane-1,2-diol;dihydrochloride is COCC(O)CO.Cl.Cl.
What is the InChIKey of 3-methoxypropane-1,2-diol;dihydrochloride?
The InChIKey is HHRWAXPGIUNOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.2ClH/c1-7-3-4(6)2-5;;/h4-6H,2-3H2,1H3;2*1H.
What are the key properties of 3-methoxypropane-1,2-diol;dihydrochloride?
3-methoxypropane-1,2-diol;dihydrochloride has a molecular weight of 179.04 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropane-1,2-diol;dihydrochloride is sourced from PubChem (CID 87908148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).