azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid

C17H40NO7P — CID 174232121

IUPACazane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
SMILESCCCCC(CC)COP(=O)(O)OCC(CC)CCCC.N.O=C(O)O
InChIInChI=1S/C16H35O4P.CH2O3.H3N/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);(H2,2,3,4);1H3
InChIKeyIQUNEXJCUXYREY-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.94
Rot. Bonds14

About azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid

azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid (PubChem CID 174232121) has the molecular formula C17H40NO7P and a molecular weight of 401.48 g/mol. Its IUPAC name is azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid.

Molecular Properties

Compound Nameazane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
PubChem CID174232121
Molecular FormulaC17H40NO7P
Molecular Weight401.48 g/mol
Exact Mass401.25
IUPAC Nameazane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
SMILESCCCCC(CC)COP(=O)(O)OCC(CC)CCCC.N.O=C(O)O
InChIInChI=1S/C16H35O4P.CH2O3.H3N/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);(H2,2,3,4);1H3
InChIKeyIQUNEXJCUXYREY-UHFFFAOYSA-N
XLogP5.94
TPSA148.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylhexyl) hydrogen phosphate;2-chloropropanoic acid
CID 174379477
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
CID 87184341
CID 87184341
CID 131883274
CID 131883274
[2-ethylhexoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
CID 57171045
dihexylphosphorylmethyl 2-ethylhexyl hydrogen phosphate
CID 100928697
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
2-ethylhexyl 8-methylnonyl hydrogen phosphate
CID 174470689
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612

Frequently Asked Questions

What is the IUPAC name of azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid?
The IUPAC name of azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid (CID 174232121) is azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid.
What is the SMILES notation for azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid?
The canonical SMILES for azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid is CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.N.O=C(O)O.
What is the InChIKey of azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid?
The InChIKey is IQUNEXJCUXYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P.CH2O3.H3N/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);(H2,2,3,4);1H3.
What are the key properties of azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid?
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid has a molecular weight of 401.48 g/mol, XLogP of 5.94, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid is sourced from PubChem (CID 174232121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).