4H-1,4-oxaphosphinine

C4H5OP — CID 135083932

IUPAC4H-1,4-oxaphosphinine
SMILESC1=CPC=CO1
InChIInChI=1S/C4H5OP/c1-3-6-4-2-5-1/h1-4,6H
InChIKeyKMHHTKNOCLQGIP-UHFFFAOYSA-N
MW100.06 g/mol
LogP1.64
Rot. Bonds

About 4H-1,4-oxaphosphinine

4H-1,4-oxaphosphinine (PubChem CID 135083932) has the molecular formula C4H5OP and a molecular weight of 100.06 g/mol. Its IUPAC name is 4H-1,4-oxaphosphinine.

Molecular Properties

Compound Name4H-1,4-oxaphosphinine
PubChem CID135083932
Molecular FormulaC4H5OP
Molecular Weight100.06 g/mol
Exact Mass100.01
IUPAC Name4H-1,4-oxaphosphinine
SMILESC1=CPC=CO1
InChIInChI=1S/C4H5OP/c1-3-6-4-2-5-1/h1-4,6H
InChIKeyKMHHTKNOCLQGIP-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.06
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-1,4-oxaphosphinine?
The IUPAC name of 4H-1,4-oxaphosphinine (CID 135083932) is 4H-1,4-oxaphosphinine.
What is the SMILES notation for 4H-1,4-oxaphosphinine?
The canonical SMILES for 4H-1,4-oxaphosphinine is C1=CPC=CO1.
What is the InChIKey of 4H-1,4-oxaphosphinine?
The InChIKey is KMHHTKNOCLQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5OP/c1-3-6-4-2-5-1/h1-4,6H.
What are the key properties of 4H-1,4-oxaphosphinine?
4H-1,4-oxaphosphinine has a molecular weight of 100.06 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,4-oxaphosphinine is sourced from PubChem (CID 135083932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).