zinc 2-ethylhexyl phosphate

C8H17O4PZn — CID 18328574

IUPACzinc 2-ethylhexyl phosphate
SMILESCCCCC(CC)COP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C8H19O4P.Zn/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+2/p-2
InChIKeyJQBWIGPYQPOAJZ-UHFFFAOYSA-L
MW273.58 g/mol
LogP1.05
Rot. Bonds7

About zinc 2-ethylhexyl phosphate

zinc 2-ethylhexyl phosphate (PubChem CID 18328574) has the molecular formula C8H17O4PZn and a molecular weight of 273.58 g/mol. Its IUPAC name is zinc 2-ethylhexyl phosphate.

Molecular Properties

Compound Namezinc 2-ethylhexyl phosphate
PubChem CID18328574
Molecular FormulaC8H17O4PZn
Molecular Weight273.58 g/mol
Exact Mass272.02
IUPAC Namezinc 2-ethylhexyl phosphate
SMILESCCCCC(CC)COP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C8H19O4P.Zn/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+2/p-2
InChIKeyJQBWIGPYQPOAJZ-UHFFFAOYSA-L
XLogP1.05
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.58
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc 2-ethylhexyl phosphate?
The IUPAC name of zinc 2-ethylhexyl phosphate (CID 18328574) is zinc 2-ethylhexyl phosphate.
What is the SMILES notation for zinc 2-ethylhexyl phosphate?
The canonical SMILES for zinc 2-ethylhexyl phosphate is CCCCC(CC)COP(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc 2-ethylhexyl phosphate?
The InChIKey is JQBWIGPYQPOAJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19O4P.Zn/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+2/p-2.
What are the key properties of zinc 2-ethylhexyl phosphate?
zinc 2-ethylhexyl phosphate has a molecular weight of 273.58 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-ethylhexyl phosphate is sourced from PubChem (CID 18328574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).