trideuterio(deuteriooxy)(113C)methane

CH4O — CID 11788253

IUPACtrideuterio(deuteriooxy)(113C)methane
SMILES[2H]O[13C]([2H])([2H])[2H]
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1+1D3,2D
InChIKeyOKKJLVBELUTLKV-YFICBCNASA-N
MW37.06 g/mol
LogP-0.39
Rot. Bonds1

About trideuterio(deuteriooxy)(113C)methane

trideuterio(deuteriooxy)(113C)methane (PubChem CID 11788253) has the molecular formula CH4O and a molecular weight of 37.06 g/mol. Its IUPAC name is trideuterio(deuteriooxy)(113C)methane.

Molecular Properties

Compound Nametrideuterio(deuteriooxy)(113C)methane
PubChem CID11788253
Molecular FormulaCH4O
Molecular Weight37.06 g/mol
Exact Mass37.05
IUPAC Nametrideuterio(deuteriooxy)(113C)methane
SMILES[2H]O[13C]([2H])([2H])[2H]
InChIInChI=1S/CH4O/c1-2/h2H,1H3/i1+1D3,2D
InChIKeyOKKJLVBELUTLKV-YFICBCNASA-N
XLogP-0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50037.06
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 trideuterio(deuteriooxy)(113C)methane?
The IUPAC name of trideuterio(deuteriooxy)(113C)methane (CID 11788253) is trideuterio(deuteriooxy)(113C)methane.
What is the SMILES notation for trideuterio(deuteriooxy)(113C)methane?
The canonical SMILES for trideuterio(deuteriooxy)(113C)methane is [2H]O[13C]([2H])([2H])[2H].
What is the InChIKey of trideuterio(deuteriooxy)(113C)methane?
The InChIKey is OKKJLVBELUTLKV-YFICBCNASA-N. The full InChI is InChI=1S/CH4O/c1-2/h2H,1H3/i1+1D3,2D.
What are the key properties of trideuterio(deuteriooxy)(113C)methane?
trideuterio(deuteriooxy)(113C)methane has a molecular weight of 37.06 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio(deuteriooxy)(113C)methane is sourced from PubChem (CID 11788253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).