methane;methanol;dihydrochloride

C2H10Cl2O — CID 172689059

IUPACmethane;methanol;dihydrochloride
SMILESC.CO.Cl.Cl
InChIInChI=1S/CH4O.CH4.2ClH/c1-2;;;/h2H,1H3;1H4;2*1H
InChIKeyBKRRBAZEYGIZSK-UHFFFAOYSA-N
MW121.01 g/mol
LogP1.09
Rot. Bonds

About methane;methanol;dihydrochloride

methane;methanol;dihydrochloride (PubChem CID 172689059) has the molecular formula C2H10Cl2O and a molecular weight of 121.01 g/mol. Its IUPAC name is methane;methanol;dihydrochloride.

Molecular Properties

Compound Namemethane;methanol;dihydrochloride
PubChem CID172689059
Molecular FormulaC2H10Cl2O
Molecular Weight121.01 g/mol
Exact Mass120.01
IUPAC Namemethane;methanol;dihydrochloride
SMILESC.CO.Cl.Cl
InChIInChI=1S/CH4O.CH4.2ClH/c1-2;;;/h2H,1H3;1H4;2*1H
InChIKeyBKRRBAZEYGIZSK-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.01
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;methanol;dihydrochloride?
The IUPAC name of methane;methanol;dihydrochloride (CID 172689059) is methane;methanol;dihydrochloride.
What is the SMILES notation for methane;methanol;dihydrochloride?
The canonical SMILES for methane;methanol;dihydrochloride is C.CO.Cl.Cl.
What is the InChIKey of methane;methanol;dihydrochloride?
The InChIKey is BKRRBAZEYGIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.CH4.2ClH/c1-2;;;/h2H,1H3;1H4;2*1H.
What are the key properties of methane;methanol;dihydrochloride?
methane;methanol;dihydrochloride has a molecular weight of 121.01 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;dihydrochloride is sourced from PubChem (CID 172689059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).