sodium;2-ethylhexyl dihydrogen phosphate;hydride

C8H20NaO4P — CID 173063880

IUPACsodium;2-ethylhexyl dihydrogen phosphate;hydride
SMILESCCCCC(CC)COP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C8H19O4P.Na.H/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;+1;-1
InChIKeyFYJZUWCXUKNIRK-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.57
Rot. Bonds7

About sodium;2-ethylhexyl dihydrogen phosphate;hydride

sodium;2-ethylhexyl dihydrogen phosphate;hydride (PubChem CID 173063880) has the molecular formula C8H20NaO4P and a molecular weight of 234.21 g/mol. Its IUPAC name is sodium;2-ethylhexyl dihydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;2-ethylhexyl dihydrogen phosphate;hydride
PubChem CID173063880
Molecular FormulaC8H20NaO4P
Molecular Weight234.21 g/mol
Exact Mass234.10
IUPAC Namesodium;2-ethylhexyl dihydrogen phosphate;hydride
SMILESCCCCC(CC)COP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C8H19O4P.Na.H/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;+1;-1
InChIKeyFYJZUWCXUKNIRK-UHFFFAOYSA-N
XLogP-0.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87184341
CID 87184341
CID 131883274
CID 131883274
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
bis(2-ethylhexyl) 2-(2-hydroxyethyl)hexyl phosphate
CID 169438347
[2-ethylhexoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
CID 57171045
2-ethylhexyl dihydrogen phosphate;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 139033189
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
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethylhexyl dihydrogen phosphate;hydride?
The IUPAC name of sodium;2-ethylhexyl dihydrogen phosphate;hydride (CID 173063880) is sodium;2-ethylhexyl dihydrogen phosphate;hydride.
What is the SMILES notation for sodium;2-ethylhexyl dihydrogen phosphate;hydride?
The canonical SMILES for sodium;2-ethylhexyl dihydrogen phosphate;hydride is CCCCC(CC)COP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;2-ethylhexyl dihydrogen phosphate;hydride?
The InChIKey is FYJZUWCXUKNIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.Na.H/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;+1;-1.
What are the key properties of sodium;2-ethylhexyl dihydrogen phosphate;hydride?
sodium;2-ethylhexyl dihydrogen phosphate;hydride has a molecular weight of 234.21 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethylhexyl dihydrogen phosphate;hydride is sourced from PubChem (CID 173063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).