potassium;didodecyl phosphono phosphate;hydride

C24H53KO7P2 — CID 175169291

IUPACpotassium;didodecyl phosphono phosphate;hydride
SMILESCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C24H52O7P2.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,31-32(25,26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3,(H2,25,26,27);;/q;+1;-1
InChIKeyYYLBFNQXIUFAFR-UHFFFAOYSA-N
MW554.73 g/mol
LogP6.20
Rot. Bonds26

About potassium;didodecyl phosphono phosphate;hydride

potassium;didodecyl phosphono phosphate;hydride (PubChem CID 175169291) has the molecular formula C24H53KO7P2 and a molecular weight of 554.73 g/mol. Its IUPAC name is potassium;didodecyl phosphono phosphate;hydride.

Molecular Properties

Compound Namepotassium;didodecyl phosphono phosphate;hydride
PubChem CID175169291
Molecular FormulaC24H53KO7P2
Molecular Weight554.73 g/mol
Exact Mass554.29
IUPAC Namepotassium;didodecyl phosphono phosphate;hydride
SMILESCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C24H52O7P2.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,31-32(25,26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3,(H2,25,26,27);;/q;+1;-1
InChIKeyYYLBFNQXIUFAFR-UHFFFAOYSA-N
XLogP6.20
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dihexyl phosphono phosphate
CID 87086295
dodecyl phosphono tetradecyl phosphate
CID 175243600
heptyl nonyl phosphono phosphate
CID 174822042
potassium tris-decyl phosphate
CID 21118666
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950

Frequently Asked Questions

What is the IUPAC name of potassium;didodecyl phosphono phosphate;hydride?
The IUPAC name of potassium;didodecyl phosphono phosphate;hydride (CID 175169291) is potassium;didodecyl phosphono phosphate;hydride.
What is the SMILES notation for potassium;didodecyl phosphono phosphate;hydride?
The canonical SMILES for potassium;didodecyl phosphono phosphate;hydride is CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;didodecyl phosphono phosphate;hydride?
The InChIKey is YYLBFNQXIUFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O7P2.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,31-32(25,26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3,(H2,25,26,27);;/q;+1;-1.
What are the key properties of potassium;didodecyl phosphono phosphate;hydride?
potassium;didodecyl phosphono phosphate;hydride has a molecular weight of 554.73 g/mol, XLogP of 6.20, 26 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;didodecyl phosphono phosphate;hydride is sourced from PubChem (CID 175169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).