2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate

C162H338F22O57 — CID 161322973

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCO.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C37H74O18.C36H72O17.C27H54O9.C19H38O9.C13H13F13O2.C12H15F9O2.18CH4/c1-3-36(2)37(39)55-35-34-54-33-32-53-31-30-52-29-28-51-27-26-50-25-24-49-23-22-48-21-20-47-19-18-46-17-16-45-15-14-44-13-12-43-11-10-42-9-8-41-7-6-40-5-4-38;1-4-36(2,3)35(38)53-34-33-52-32-31-51-30-29-50-28-27-49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-8-7-39-6-5-37;1-4-27(2,3)26(29)36-25-11-24-35-23-10-22-34-21-9-20-33-19-8-18-32-17-7-16-31-15-6-14-30-13-5-12-28;1-3-18(2)19(21)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20;1-3-6(2)7(27)28-5-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;1-4-8(2,3)7(22)23-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21;;;;;;;;;;;;;;;;;;/h36,38H,3-35H2,1-2H3;37H,4-34H2,1-3H3;28H,4-25H2,1-3H3;18,20H,3-17H2,1-2H3;6H,3-5H2,1-2H3;4-6H2,1-3H3;18*1H4
InChIKeyVKJSULMEJVQHFH-UHFFFAOYSA-N
MW3616.39 g/mol
LogP28.44
Rot. Bonds162

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate (PubChem CID 161322973) has the molecular formula C162H338F22O57 and a molecular weight of 3616.39 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate
PubChem CID161322973
Molecular FormulaC162H338F22O57
Molecular Weight3616.39 g/mol
Exact Mass3614.32
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCO.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C37H74O18.C36H72O17.C27H54O9.C19H38O9.C13H13F13O2.C12H15F9O2.18CH4/c1-3-36(2)37(39)55-35-34-54-33-32-53-31-30-52-29-28-51-27-26-50-25-24-49-23-22-48-21-20-47-19-18-46-17-16-45-15-14-44-13-12-43-11-10-42-9-8-41-7-6-40-5-4-38;1-4-36(2,3)35(38)53-34-33-52-32-31-51-30-29-50-28-27-49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-8-7-39-6-5-37;1-4-27(2,3)26(29)36-25-11-24-35-23-10-22-34-21-9-20-33-19-8-18-32-17-7-16-31-15-6-14-30-13-5-12-28;1-3-18(2)19(21)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20;1-3-6(2)7(27)28-5-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;1-4-8(2,3)7(22)23-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21;;;;;;;;;;;;;;;;;;/h36,38H,3-35H2,1-2H3;37H,4-34H2,1-3H3;28H,4-25H2,1-3H3;18,20H,3-17H2,1-2H3;6H,3-5H2,1-2H3;4-6H2,1-3H3;18*1H4
InChIKeyVKJSULMEJVQHFH-UHFFFAOYSA-N
XLogP28.44
TPSA617.15 Ų
H-Bond Donors4
H-Bond Acceptors57
Rotatable Bonds162
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003616.39
LogP ≤ 528.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate with MolForge

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Related Compounds

3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate
CID 91083160
2-ethyl-4-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonyl]-6-methyl-7-oxo-7-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)heptanoic acid;methane
CID 157160728
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate;[(E,4E,5E,6E,7E,8Z,9Z,10Z,11E,12Z,13E,14Z,15E,16Z,17E,18Z,19E,20E,21E)-22-methyl-3,24-dioxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21-octadecakis(2-oxoethylidene)tetracos-22-en-1-ynyl] 2-methylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2,2-dimethylbutanoate
CID 90881713
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate
CID 140829607
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl 2-methylbutanoate
CID 21020702
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate;4-O-[2-(2-methylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 123520350
bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate)
CID 161054783
1-O-butyl 5-O-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 4-ethyl-2-methylpentanedioate
CID 58185074
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)butanamide;methane;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-dimethylbutanoate
CID 158520077
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl 2,2-dimethylbutanoate
CID 59940556

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate (CID 161322973) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCO.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCO.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate?
The InChIKey is VKJSULMEJVQHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74O18.C36H72O17.C27H54O9.C19H38O9.C13H13F13O2.C12H15F9O2.18CH4/c1-3-36(2)37(39)55-35-34-54-33-32-53-31-30-52-29-28-51-27-26-50-25-24-49-23-22-48-21-20-47-19-18-46-17-16-45-15-14-44-13-12-43-11-10-42-9-8-41-7-6-40-5-4-38;1-4-36(2,3)35(38)53-34-33-52-32-31-51-30-29-50-28-27-49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-8-7-39-6-5-37;1-4-27(2,3)26(29)36-25-11-24-35-23-10-22-34-21-9-20-33-19-8-18-32-17-7-16-31-15-6-14-30-13-5-12-28;1-3-18(2)19(21)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-20;1-3-6(2)7(27)28-5-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;1-4-8(2,3)7(22)23-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21;;;;;;;;;;;;;;;;;;/h36,38H,3-35H2,1-2H3;37H,4-34H2,1-3H3;28H,4-25H2,1-3H3;18,20H,3-17H2,1-2H3;6H,3-5H2,1-2H3;4-6H2,1-3H3;18*1H4.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate has a molecular weight of 3616.39 g/mol, XLogP of 28.44, 162 rotatable bonds, 4 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate;3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate;methane;3,3,4,4,5,5,6,6,6-nonafluorohexyl 2,2-dimethylbutanoate;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylbutanoate is sourced from PubChem (CID 161322973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).