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

C146H197F13O46 — CID 90881713

IUPAC3-[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
SMILESCCC(C)(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)OC#CC(=O)C(=C/C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(=C\C=O)/C(=C\C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=CC=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(/C)=C/C=O.CCC(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOC
InChIInChI=1S/C66H50O22.C66H132O22.C14H15F13O2/c1-4-45(2)66(87)88-44-24-65(86)64(23-43-85)63(22-42-84)62(21-41-83)61(20-40-82)60(19-39-81)59(18-38-80)58(17-37-79)57(16-36-78)56(15-35-77)55(14-34-76)54(13-33-75)53(12-32-74)52(11-31-73)51(10-30-72)50(9-29-71)49(8-28-70)48(7-27-69)47(6-26-68)46(3)5-25-67;1-4-65(2)66(67)88-64-24-63-87-62-23-61-86-60-22-59-85-58-21-57-84-56-20-55-83-54-19-53-82-52-18-51-81-50-17-49-80-48-16-47-79-46-15-45-78-44-14-43-77-42-13-41-76-40-12-39-75-38-11-37-74-36-10-35-73-34-9-33-72-32-8-31-71-30-7-29-70-28-6-27-69-26-5-25-68-3;1-4-8(2,3)7(28)29-6-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-23,25-43,45H,4H2,1-3H3;65H,4-64H2,1-3H3;4-6H2,1-3H3/b46-5+,47-6+,48-7+,49-8+,50-9-,51-10+,52-11-,53-12+,54-13-,55-14+,56-15-,57-16+,58-17-,59-18+,60-19-,61-20+,62-21+,63-22+,64-23+;;
InChIKeyZWELSKHSWTVLID-VUBVHDSYSA-N
MW2935.11 g/mol
LogP18.94
Rot. Bonds131

About 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

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 (PubChem CID 90881713) has the molecular formula C146H197F13O46 and a molecular weight of 2935.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID90881713
Molecular FormulaC146H197F13O46
Molecular Weight2935.11 g/mol
Exact Mass2933.29
IUPAC Name3-[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
SMILESCCC(C)(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)OC#CC(=O)C(=C/C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(=C\C=O)/C(=C\C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=CC=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(/C)=C/C=O.CCC(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOC
InChIInChI=1S/C66H50O22.C66H132O22.C14H15F13O2/c1-4-45(2)66(87)88-44-24-65(86)64(23-43-85)63(22-42-84)62(21-41-83)61(20-40-82)60(19-39-81)59(18-38-80)58(17-37-79)57(16-36-78)56(15-35-77)55(14-34-76)54(13-33-75)53(12-32-74)52(11-31-73)51(10-30-72)50(9-29-71)49(8-28-70)48(7-27-69)47(6-26-68)46(3)5-25-67;1-4-65(2)66(67)88-64-24-63-87-62-23-61-86-60-22-59-85-58-21-57-84-56-20-55-83-54-19-53-82-52-18-51-81-50-17-49-80-48-16-47-79-46-15-45-78-44-14-43-77-42-13-41-76-40-12-39-75-38-11-37-74-36-10-35-73-34-9-33-72-32-8-31-71-30-7-29-70-28-6-27-69-26-5-25-68-3;1-4-8(2,3)7(28)29-6-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-23,25-43,45H,4H2,1-3H3;65H,4-64H2,1-3H3;4-6H2,1-3H3/b46-5+,47-6+,48-7+,49-8+,50-9-,51-10+,52-11-,53-12+,54-13-,55-14+,56-15-,57-16+,58-17-,59-18+,60-19-,61-20+,62-21+,63-22+,64-23+;;
InChIKeyZWELSKHSWTVLID-VUBVHDSYSA-N
XLogP18.94
TPSA604.90 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds131
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.11
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 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 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-[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
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl 2-methylbutanoate
CID 21020702
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
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
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-bromo-2-methylbutanoate
CID 88547820
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
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
butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)
CID 158422927

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(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)OC#CC(=O)C(=C/C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(=C\C=O)/C(=C\C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=CC=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C\C=O)/C(=C/C=O)C(=C/C=O)/C(=C/C=O)C(/C)=C/C=O.CCC(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOC.
What is the InChIKey of 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?
The InChIKey is ZWELSKHSWTVLID-VUBVHDSYSA-N. The full InChI is InChI=1S/C66H50O22.C66H132O22.C14H15F13O2/c1-4-45(2)66(87)88-44-24-65(86)64(23-43-85)63(22-42-84)62(21-41-83)61(20-40-82)60(19-39-81)59(18-38-80)58(17-37-79)57(16-36-78)56(15-35-77)55(14-34-76)54(13-33-75)53(12-32-74)52(11-31-73)51(10-30-72)50(9-29-71)49(8-28-70)48(7-27-69)47(6-26-68)46(3)5-25-67;1-4-65(2)66(67)88-64-24-63-87-62-23-61-86-60-22-59-85-58-21-57-84-56-20-55-83-54-19-53-82-52-18-51-81-50-17-49-80-48-16-47-79-46-15-45-78-44-14-43-77-42-13-41-76-40-12-39-75-38-11-37-74-36-10-35-73-34-9-33-72-32-8-31-71-30-7-29-70-28-6-27-69-26-5-25-68-3;1-4-8(2,3)7(28)29-6-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-23,25-43,45H,4H2,1-3H3;65H,4-64H2,1-3H3;4-6H2,1-3H3/b46-5+,47-6+,48-7+,49-8+,50-9-,51-10+,52-11-,53-12+,54-13-,55-14+,56-15-,57-16+,58-17-,59-18+,60-19-,61-20+,62-21+,63-22+,64-23+;;.
What are the key properties of 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?
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 has a molecular weight of 2935.11 g/mol, XLogP of 18.94, 131 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90881713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).