2,2-bis(phosphanyl)ethenone

C2H4OP2 — CID 176547952

IUPAC2,2-bis(phosphanyl)ethenone
SMILESO=C=C(P)P
InChIInChI=1S/C2H4OP2/c3-1-2(4)5/h4-5H2
InChIKeyAQJIPSCYSJVSAZ-UHFFFAOYSA-N
MW106.00 g/mol
LogP0.41
Rot. Bonds

About 2,2-bis(phosphanyl)ethenone

2,2-bis(phosphanyl)ethenone (PubChem CID 176547952) has the molecular formula C2H4OP2 and a molecular weight of 106.00 g/mol. Its IUPAC name is 2,2-bis(phosphanyl)ethenone.

Molecular Properties

Compound Name2,2-bis(phosphanyl)ethenone
PubChem CID176547952
Molecular FormulaC2H4OP2
Molecular Weight106.00 g/mol
Exact Mass105.97
IUPAC Name2,2-bis(phosphanyl)ethenone
SMILESO=C=C(P)P
InChIInChI=1S/C2H4OP2/c3-1-2(4)5/h4-5H2
InChIKeyAQJIPSCYSJVSAZ-UHFFFAOYSA-N
XLogP0.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.00
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-bis(phosphanyl)ethenone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phosphanyl)ethenone?
The IUPAC name of 2,2-bis(phosphanyl)ethenone (CID 176547952) is 2,2-bis(phosphanyl)ethenone.
What is the SMILES notation for 2,2-bis(phosphanyl)ethenone?
The canonical SMILES for 2,2-bis(phosphanyl)ethenone is O=C=C(P)P.
What is the InChIKey of 2,2-bis(phosphanyl)ethenone?
The InChIKey is AQJIPSCYSJVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4OP2/c3-1-2(4)5/h4-5H2.
What are the key properties of 2,2-bis(phosphanyl)ethenone?
2,2-bis(phosphanyl)ethenone has a molecular weight of 106.00 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phosphanyl)ethenone is sourced from PubChem (CID 176547952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).