tritio(tritiophosphanyl)methanone

CH3OP — CID 168853322

IUPACtritio(tritiophosphanyl)methanone
SMILES[3H]PC([3H])=O
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T
InChIKeyWHPGTGCDKMKRNH-UURISEFRSA-N
MW66.02 g/mol
LogP0.05
Rot. Bonds1

About tritio(tritiophosphanyl)methanone

tritio(tritiophosphanyl)methanone (PubChem CID 168853322) has the molecular formula CH3OP and a molecular weight of 66.02 g/mol. Its IUPAC name is tritio(tritiophosphanyl)methanone.

Molecular Properties

Compound Nametritio(tritiophosphanyl)methanone
PubChem CID168853322
Molecular FormulaCH3OP
Molecular Weight66.02 g/mol
Exact Mass66.01
IUPAC Nametritio(tritiophosphanyl)methanone
SMILES[3H]PC([3H])=O
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T
InChIKeyWHPGTGCDKMKRNH-UURISEFRSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.02
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tritio(tritiophosphanyl)methanone?
The IUPAC name of tritio(tritiophosphanyl)methanone (CID 168853322) is tritio(tritiophosphanyl)methanone.
What is the SMILES notation for tritio(tritiophosphanyl)methanone?
The canonical SMILES for tritio(tritiophosphanyl)methanone is [3H]PC([3H])=O.
What is the InChIKey of tritio(tritiophosphanyl)methanone?
The InChIKey is WHPGTGCDKMKRNH-UURISEFRSA-N. The full InChI is InChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T.
What are the key properties of tritio(tritiophosphanyl)methanone?
tritio(tritiophosphanyl)methanone has a molecular weight of 66.02 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tritio(tritiophosphanyl)methanone is sourced from PubChem (CID 168853322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).