[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium

C32H47F24N3O6+2 — CID 58194896

IUPAC[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium
SMILESC[N+](C)(CCN(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C32H47F24N3O6/c1-58(2,10-19(61)13-64-16-25(41,42)31(53,54)28(47,48)22(35)36)7-5-57(9-18(60)12-63-15-24(39,40)30(51,52)27(45,46)21(33)34)6-8-59(3,4)11-20(62)14-65-17-26(43,44)32(55,56)29(49,50)23(37)38/h18-23,60-62H,5-17H2,1-4H3/q+2
InChIKeyZWTQJKCVSGOZDQ-UHFFFAOYSA-N
MW1025.69 g/mol
LogP6.09
Rot. Bonds33

About [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium

[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium (PubChem CID 58194896) has the molecular formula C32H47F24N3O6+2 and a molecular weight of 1025.69 g/mol. Its IUPAC name is [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium
PubChem CID58194896
Molecular FormulaC32H47F24N3O6+2
Molecular Weight1025.69 g/mol
Exact Mass1025.31
IUPAC Name[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium
SMILESC[N+](C)(CCN(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C32H47F24N3O6/c1-58(2,10-19(61)13-64-16-25(41,42)31(53,54)28(47,48)22(35)36)7-5-57(9-18(60)12-63-15-24(39,40)30(51,52)27(45,46)21(33)34)6-8-59(3,4)11-20(62)14-65-17-26(43,44)32(55,56)29(49,50)23(37)38/h18-23,60-62H,5-17H2,1-4H3/q+2
InChIKeyZWTQJKCVSGOZDQ-UHFFFAOYSA-N
XLogP6.09
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.69
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium (CID 58194896) is [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium is C[N+](C)(CCN(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium?
The InChIKey is ZWTQJKCVSGOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47F24N3O6/c1-58(2,10-19(61)13-64-16-25(41,42)31(53,54)28(47,48)22(35)36)7-5-57(9-18(60)12-63-15-24(39,40)30(51,52)27(45,46)21(33)34)6-8-59(3,4)11-20(62)14-65-17-26(43,44)32(55,56)29(49,50)23(37)38/h18-23,60-62H,5-17H2,1-4H3/q+2.
What are the key properties of [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium?
[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium has a molecular weight of 1025.69 g/mol, XLogP of 6.09, 33 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 58194896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).