dideuteriomethanol

CH4O — CID 12812205

IUPACdideuteriomethanol
SMILES[2H]C([2H])O
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1D2
InChIKeyOKKJLVBELUTLKV-DICFDUPASA-N
MW34.05 g/mol
LogP-0.39
Rot. Bonds

About dideuteriomethanol

dideuteriomethanol (PubChem CID 12812205) has the molecular formula CH4O and a molecular weight of 34.05 g/mol. Its IUPAC name is dideuteriomethanol.

Molecular Properties

Compound Namedideuteriomethanol
PubChem CID12812205
Molecular FormulaCH4O
Molecular Weight34.05 g/mol
Exact Mass34.04
IUPAC Namedideuteriomethanol
SMILES[2H]C([2H])O
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1D2
InChIKeyOKKJLVBELUTLKV-DICFDUPASA-N
XLogP-0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50034.05
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dideuteriomethanol?
The IUPAC name of dideuteriomethanol (CID 12812205) is dideuteriomethanol.
What is the SMILES notation for dideuteriomethanol?
The canonical SMILES for dideuteriomethanol is [2H]C([2H])O.
What is the InChIKey of dideuteriomethanol?
The InChIKey is OKKJLVBELUTLKV-DICFDUPASA-N. The full InChI is InChI=1S/CH4O/c1-2/h2H,1H3/i1D2.
What are the key properties of dideuteriomethanol?
dideuteriomethanol has a molecular weight of 34.05 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuteriomethanol is sourced from PubChem (CID 12812205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).