dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane

C8H7K2O3P — CID 118537099

IUPACdipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
SMILESO=P([O-])([O-])/C=C/c1ccccc1.[K+].[K+]
InChIInChI=1S/C8H9O3P.2K/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H2,9,10,11);;/q;2*+1/p-2/b7-6+;;
InChIKeyVPLWIMJEIUNPRW-KMXZHCNGSA-L
MW260.31 g/mol
LogP-5.42
Rot. Bonds2

About dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane

dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane (PubChem CID 118537099) has the molecular formula C8H7K2O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane.

Molecular Properties

Compound Namedipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
PubChem CID118537099
Molecular FormulaC8H7K2O3P
Molecular Weight260.31 g/mol
Exact Mass259.94
IUPAC Namedipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
SMILESO=P([O-])([O-])/C=C/c1ccccc1.[K+].[K+]
InChIInChI=1S/C8H9O3P.2K/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H2,9,10,11);;/q;2*+1/p-2/b7-6+;;
InChIKeyVPLWIMJEIUNPRW-KMXZHCNGSA-L
XLogP-5.42
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-5.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
CID 154205626
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-phenylethenyl(propyl)phosphinic acid
CID 67363439
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
4-phenylbuta-1,3-dienylbenzene
CID 162273071
disodium;hydride;(E)-stilbene
CID 173089328
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014

Frequently Asked Questions

What is the IUPAC name of dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane?
The IUPAC name of dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane (CID 118537099) is dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane.
What is the SMILES notation for dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane?
The canonical SMILES for dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane is O=P([O-])([O-])/C=C/c1ccccc1.[K+].[K+].
What is the InChIKey of dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane?
The InChIKey is VPLWIMJEIUNPRW-KMXZHCNGSA-L. The full InChI is InChI=1S/C8H9O3P.2K/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H2,9,10,11);;/q;2*+1/p-2/b7-6+;;.
What are the key properties of dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane?
dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane has a molecular weight of 260.31 g/mol, XLogP of -5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane is sourced from PubChem (CID 118537099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).