potassium;bis(2-ethylhexyl) phosphate;urea

C17H38KN2O5P — CID 174839333

IUPACpotassium;bis(2-ethylhexyl) phosphate;urea
SMILESCCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.NC(N)=O.[K+]
InChIInChI=1S/C16H35O4P.CH4N2O.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;2-1(3)4;/h15-16H,5-14H2,1-4H3,(H,17,18);(H4,2,3,4);/q;;+1/p-1
InChIKeyDMYCPRFPOSDBFA-UHFFFAOYSA-M
MW420.57 g/mol
LogP0.95
Rot. Bonds14

About potassium;bis(2-ethylhexyl) phosphate;urea

potassium;bis(2-ethylhexyl) phosphate;urea (PubChem CID 174839333) has the molecular formula C17H38KN2O5P and a molecular weight of 420.57 g/mol. Its IUPAC name is potassium;bis(2-ethylhexyl) phosphate;urea.

Molecular Properties

Compound Namepotassium;bis(2-ethylhexyl) phosphate;urea
PubChem CID174839333
Molecular FormulaC17H38KN2O5P
Molecular Weight420.57 g/mol
Exact Mass420.22
IUPAC Namepotassium;bis(2-ethylhexyl) phosphate;urea
SMILESCCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.NC(N)=O.[K+]
InChIInChI=1S/C16H35O4P.CH4N2O.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;2-1(3)4;/h15-16H,5-14H2,1-4H3,(H,17,18);(H4,2,3,4);/q;;+1/p-1
InChIKeyDMYCPRFPOSDBFA-UHFFFAOYSA-M
XLogP0.95
TPSA127.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
bis(2-ethylhexyl) phosphate;2-hydroxyethyl(trimethyl)azanium
CID 89486174
2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
CID 54560727
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
CID 87184341
CID 87184341
CID 131883274
CID 131883274
2-ethylhexyl octan-2-yl phosphate
CID 18459399
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121

Frequently Asked Questions

What is the IUPAC name of potassium;bis(2-ethylhexyl) phosphate;urea?
The IUPAC name of potassium;bis(2-ethylhexyl) phosphate;urea (CID 174839333) is potassium;bis(2-ethylhexyl) phosphate;urea.
What is the SMILES notation for potassium;bis(2-ethylhexyl) phosphate;urea?
The canonical SMILES for potassium;bis(2-ethylhexyl) phosphate;urea is CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.NC(N)=O.[K+].
What is the InChIKey of potassium;bis(2-ethylhexyl) phosphate;urea?
The InChIKey is DMYCPRFPOSDBFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O4P.CH4N2O.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;2-1(3)4;/h15-16H,5-14H2,1-4H3,(H,17,18);(H4,2,3,4);/q;;+1/p-1.
What are the key properties of potassium;bis(2-ethylhexyl) phosphate;urea?
potassium;bis(2-ethylhexyl) phosphate;urea has a molecular weight of 420.57 g/mol, XLogP of 0.95, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(2-ethylhexyl) phosphate;urea is sourced from PubChem (CID 174839333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).