zinc ethyl(phenoxy)phosphinate

C16H20O6P2Zn — CID 118975861

IUPACzinc ethyl(phenoxy)phosphinate
SMILESCCP(=O)([O-])Oc1ccccc1.CCP(=O)([O-])Oc1ccccc1.[Zn+2]
InChIInChI=1S/2C8H11O3P.Zn/c2*1-2-12(9,10)11-8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyJTPWEGMHDOHWAW-UHFFFAOYSA-L
MW435.67 g/mol
LogP3.27
Rot. Bonds6

About zinc ethyl(phenoxy)phosphinate

zinc ethyl(phenoxy)phosphinate (PubChem CID 118975861) has the molecular formula C16H20O6P2Zn and a molecular weight of 435.67 g/mol. Its IUPAC name is zinc ethyl(phenoxy)phosphinate.

Molecular Properties

Compound Namezinc ethyl(phenoxy)phosphinate
PubChem CID118975861
Molecular FormulaC16H20O6P2Zn
Molecular Weight435.67 g/mol
Exact Mass434.00
IUPAC Namezinc ethyl(phenoxy)phosphinate
SMILESCCP(=O)([O-])Oc1ccccc1.CCP(=O)([O-])Oc1ccccc1.[Zn+2]
InChIInChI=1S/2C8H11O3P.Zn/c2*1-2-12(9,10)11-8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyJTPWEGMHDOHWAW-UHFFFAOYSA-L
XLogP3.27
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.67
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
chloro(phenoxy)phosphinate
CID 71354399
zinc oxido-diphenoxy-sulfanylidene-lambda5-phosphane
CID 18762383
cesium phenyl hydrogen phosphate
CID 175568082
[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
CID 66677428
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
sodium phenoxy(phenyl)phosphinate
CID 161254659

Frequently Asked Questions

What is the IUPAC name of zinc ethyl(phenoxy)phosphinate?
The IUPAC name of zinc ethyl(phenoxy)phosphinate (CID 118975861) is zinc ethyl(phenoxy)phosphinate.
What is the SMILES notation for zinc ethyl(phenoxy)phosphinate?
The canonical SMILES for zinc ethyl(phenoxy)phosphinate is CCP(=O)([O-])Oc1ccccc1.CCP(=O)([O-])Oc1ccccc1.[Zn+2].
What is the InChIKey of zinc ethyl(phenoxy)phosphinate?
The InChIKey is JTPWEGMHDOHWAW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11O3P.Zn/c2*1-2-12(9,10)11-8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,9,10);/q;;+2/p-2.
What are the key properties of zinc ethyl(phenoxy)phosphinate?
zinc ethyl(phenoxy)phosphinate has a molecular weight of 435.67 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc ethyl(phenoxy)phosphinate is sourced from PubChem (CID 118975861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).