potassium 2-ethylhexyl hydrogen phosphate

C8H18KO4P — CID 23690393

IUPACpotassium 2-ethylhexyl hydrogen phosphate
SMILESCCCCC(CC)COP(=O)([O-])O.[K+]
InChIInChI=1S/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1
InChIKeyOPGPYWLIOPXHAR-UHFFFAOYSA-M
MW248.30 g/mol
LogP-1.32
Rot. Bonds7

About potassium 2-ethylhexyl hydrogen phosphate

potassium 2-ethylhexyl hydrogen phosphate (PubChem CID 23690393) has the molecular formula C8H18KO4P and a molecular weight of 248.30 g/mol. Its IUPAC name is potassium 2-ethylhexyl hydrogen phosphate.

Molecular Properties

Compound Namepotassium 2-ethylhexyl hydrogen phosphate
PubChem CID23690393
Molecular FormulaC8H18KO4P
Molecular Weight248.30 g/mol
Exact Mass248.06
IUPAC Namepotassium 2-ethylhexyl hydrogen phosphate
SMILESCCCCC(CC)COP(=O)([O-])O.[K+]
InChIInChI=1S/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1
InChIKeyOPGPYWLIOPXHAR-UHFFFAOYSA-M
XLogP-1.32
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
CID 87184341
CID 87184341
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
CID 131883274
CID 131883274
potassium;bis(2-ethylhexyl) phosphate;urea
CID 174839333
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethylhexyl hydrogen phosphate?
The IUPAC name of potassium 2-ethylhexyl hydrogen phosphate (CID 23690393) is potassium 2-ethylhexyl hydrogen phosphate.
What is the SMILES notation for potassium 2-ethylhexyl hydrogen phosphate?
The canonical SMILES for potassium 2-ethylhexyl hydrogen phosphate is CCCCC(CC)COP(=O)([O-])O.[K+].
What is the InChIKey of potassium 2-ethylhexyl hydrogen phosphate?
The InChIKey is OPGPYWLIOPXHAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1.
What are the key properties of potassium 2-ethylhexyl hydrogen phosphate?
potassium 2-ethylhexyl hydrogen phosphate has a molecular weight of 248.30 g/mol, XLogP of -1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethylhexyl hydrogen phosphate is sourced from PubChem (CID 23690393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).