methanol;dihydrochloride

CH6Cl2O — CID 22470360

IUPACmethanol;dihydrochloride
SMILESCO.Cl.Cl
InChIInChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H
InChIKeyWKWAVURMIFLVLL-UHFFFAOYSA-N
MW104.96 g/mol
LogP0.45
Rot. Bonds

About methanol;dihydrochloride

methanol;dihydrochloride (PubChem CID 22470360) has the molecular formula CH6Cl2O and a molecular weight of 104.96 g/mol. Its IUPAC name is methanol;dihydrochloride.

Molecular Properties

Compound Namemethanol;dihydrochloride
PubChem CID22470360
Molecular FormulaCH6Cl2O
Molecular Weight104.96 g/mol
Exact Mass103.98
IUPAC Namemethanol;dihydrochloride
SMILESCO.Cl.Cl
InChIInChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H
InChIKeyWKWAVURMIFLVLL-UHFFFAOYSA-N
XLogP0.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.96
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;dihydrochloride?
The IUPAC name of methanol;dihydrochloride (CID 22470360) is methanol;dihydrochloride.
What is the SMILES notation for methanol;dihydrochloride?
The canonical SMILES for methanol;dihydrochloride is CO.Cl.Cl.
What is the InChIKey of methanol;dihydrochloride?
The InChIKey is WKWAVURMIFLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H.
What are the key properties of methanol;dihydrochloride?
methanol;dihydrochloride has a molecular weight of 104.96 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;dihydrochloride is sourced from PubChem (CID 22470360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).