ditritiophosphanyl(tritio)methanone

CH3OP — CID 168853323

IUPACditritiophosphanyl(tritio)methanone
SMILES[3H]C(=O)P([3H])[3H]
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T2
InChIKeyWHPGTGCDKMKRNH-XVVZNFKQSA-N
MW68.03 g/mol
LogP0.05
Rot. Bonds1

About ditritiophosphanyl(tritio)methanone

ditritiophosphanyl(tritio)methanone (PubChem CID 168853323) has the molecular formula CH3OP and a molecular weight of 68.03 g/mol. Its IUPAC name is ditritiophosphanyl(tritio)methanone.

Molecular Properties

Compound Nameditritiophosphanyl(tritio)methanone
PubChem CID168853323
Molecular FormulaCH3OP
Molecular Weight68.03 g/mol
Exact Mass68.02
IUPAC Nameditritiophosphanyl(tritio)methanone
SMILES[3H]C(=O)P([3H])[3H]
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T2
InChIKeyWHPGTGCDKMKRNH-XVVZNFKQSA-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 ≤ 50068.03
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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Related Compounds

Formyl phosphane
CID 14953498
Phosphanyl(tritio)methanone
CID 58058397
Deuteriophosphanylformaldehyde;uranium
CID 58697469
Tritiophosphanylformaldehyde
CID 58788744
Deuterio(phosphanyl)methanone
CID 58890181
Cobalt;phosphanylformaldehyde
CID 87189885
Phosphanylformaldehyde;rhodium
CID 87789086
Phosphanylformaldehyde;ruthenium
CID 88375806
Nickel;phosphanylformaldehyde
CID 88605416
Palladium;phosphanylformaldehyde
CID 88762412
Iron;phosphanylformaldehyde
CID 88816472
Phosphanylformaldehyde;tungsten
CID 88828111

Frequently Asked Questions

What is the IUPAC name of ditritiophosphanyl(tritio)methanone?
The IUPAC name of ditritiophosphanyl(tritio)methanone (CID 168853323) is ditritiophosphanyl(tritio)methanone.
What is the SMILES notation for ditritiophosphanyl(tritio)methanone?
The canonical SMILES for ditritiophosphanyl(tritio)methanone is [3H]C(=O)P([3H])[3H].
What is the InChIKey of ditritiophosphanyl(tritio)methanone?
The InChIKey is WHPGTGCDKMKRNH-XVVZNFKQSA-N. The full InChI is InChI=1S/CH3OP/c2-1-3/h1H,3H2/i1T,3T2.
What are the key properties of ditritiophosphanyl(tritio)methanone?
ditritiophosphanyl(tritio)methanone has a molecular weight of 68.03 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 ditritiophosphanyl(tritio)methanone is sourced from PubChem (CID 168853323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).