4-phosphanylbuta-1,3-dienylphosphane

C4H8P2 — CID 72512099

IUPAC4-phosphanylbuta-1,3-dienylphosphane
SMILESPC=CC=CP
InChIInChI=1S/C4H8P2/c5-3-1-2-4-6/h1-4H,5-6H2
InChIKeyDWFZRPXGDMXJBD-UHFFFAOYSA-N
MW118.06 g/mol
LogP1.76
Rot. Bonds1

About 4-phosphanylbuta-1,3-dienylphosphane

4-phosphanylbuta-1,3-dienylphosphane (PubChem CID 72512099) has the molecular formula C4H8P2 and a molecular weight of 118.06 g/mol. Its IUPAC name is 4-phosphanylbuta-1,3-dienylphosphane.

Molecular Properties

Compound Name4-phosphanylbuta-1,3-dienylphosphane
PubChem CID72512099
Molecular FormulaC4H8P2
Molecular Weight118.06 g/mol
Exact Mass118.01
IUPAC Name4-phosphanylbuta-1,3-dienylphosphane
SMILESPC=CC=CP
InChIInChI=1S/C4H8P2/c5-3-1-2-4-6/h1-4H,5-6H2
InChIKeyDWFZRPXGDMXJBD-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.06
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phosphanylbuta-1,3-dienylphosphane?
The IUPAC name of 4-phosphanylbuta-1,3-dienylphosphane (CID 72512099) is 4-phosphanylbuta-1,3-dienylphosphane.
What is the SMILES notation for 4-phosphanylbuta-1,3-dienylphosphane?
The canonical SMILES for 4-phosphanylbuta-1,3-dienylphosphane is PC=CC=CP.
What is the InChIKey of 4-phosphanylbuta-1,3-dienylphosphane?
The InChIKey is DWFZRPXGDMXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8P2/c5-3-1-2-4-6/h1-4H,5-6H2.
What are the key properties of 4-phosphanylbuta-1,3-dienylphosphane?
4-phosphanylbuta-1,3-dienylphosphane has a molecular weight of 118.06 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphanylbuta-1,3-dienylphosphane is sourced from PubChem (CID 72512099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).