ditritiomethanone

CH2O — CID 13001565

IUPACditritiomethanone
SMILES[3H]C([3H])=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1T2
InChIKeyWSFSSNUMVMOOMR-LLCOILBOSA-N
MW34.04 g/mol
LogP-0.18
Rot. Bonds

About ditritiomethanone

ditritiomethanone (PubChem CID 13001565) has the molecular formula CH2O and a molecular weight of 34.04 g/mol. Its IUPAC name is ditritiomethanone.

Molecular Properties

Compound Nameditritiomethanone
PubChem CID13001565
Molecular FormulaCH2O
Molecular Weight34.04 g/mol
Exact Mass34.03
IUPAC Nameditritiomethanone
SMILES[3H]C([3H])=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1T2
InChIKeyWSFSSNUMVMOOMR-LLCOILBOSA-N
XLogP-0.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50034.04
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ditritiomethanone?
The IUPAC name of ditritiomethanone (CID 13001565) is ditritiomethanone.
What is the SMILES notation for ditritiomethanone?
The canonical SMILES for ditritiomethanone is [3H]C([3H])=O.
What is the InChIKey of ditritiomethanone?
The InChIKey is WSFSSNUMVMOOMR-LLCOILBOSA-N. The full InChI is InChI=1S/CH2O/c1-2/h1H2/i1T2.
What are the key properties of ditritiomethanone?
ditritiomethanone has a molecular weight of 34.04 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditritiomethanone is sourced from PubChem (CID 13001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).