potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate

C80H155F3KNO25SSi8 — CID 162086559

IUPACpotassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate
SMILESC=CCCCCCCCOC(=O)C(C)CC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OCCC[Si]12O[Si]3(CC(C)C)O[SiH](CC(C)C)O[Si](CC(C)C)(O[Si]4(CC(C)C)O[Si](O)(CC(C)C)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1)O2.CCC(C)(C)C(=O)OCCOCCOC.[K+]
InChIInChI=1S/C37H82O14Si8.C18H26F3NO5S.C14H26O2.C11H22O4.K/c1-18-37(16,17)36(38)40-20-19-21-54-45-55(24-31(6)7)41-52(22-29(2)3)42-56(46-54,25-32(8)9)49-58(27-34(12)13)44-53(39,23-30(4)5)43-57(48-55,26-33(10)11)50-59(47-54,51-58)28-35(14)15;1-4-15(2,3)14(24)27-17-8-11-5-12(9-17)7-16(6-11,10-17)13(23)22-28(25,26)18(19,20)21;1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;/h29-35,39,52H,18-28H2,1-17H3;11-12H,4-10H2,1-3H3,(H,22,23);4,13H,1,5-12H2,2-3H3;5-9H2,1-4H3;/q;;;;+1/p-1
InChIKeyRQTRHWCGHBAPSX-UHFFFAOYSA-M
MW1883.95 g/mol
LogP15.76
Rot. Bonds43

About potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate

potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate (PubChem CID 162086559) has the molecular formula C80H155F3KNO25SSi8 and a molecular weight of 1883.95 g/mol. Its IUPAC name is potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate.

Molecular Properties

Compound Namepotassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate
PubChem CID162086559
Molecular FormulaC80H155F3KNO25SSi8
Molecular Weight1883.95 g/mol
Exact Mass1881.84
IUPAC Namepotassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate
SMILESC=CCCCCCCCOC(=O)C(C)CC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OCCC[Si]12O[Si]3(CC(C)C)O[SiH](CC(C)C)O[Si](CC(C)C)(O[Si]4(CC(C)C)O[Si](O)(CC(C)C)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1)O2.CCC(C)(C)C(=O)OCCOCCOC.[K+]
InChIInChI=1S/C37H82O14Si8.C18H26F3NO5S.C14H26O2.C11H22O4.K/c1-18-37(16,17)36(38)40-20-19-21-54-45-55(24-31(6)7)41-52(22-29(2)3)42-56(46-54,25-32(8)9)49-58(27-34(12)13)44-53(39,23-30(4)5)43-57(48-55,26-33(10)11)50-59(47-54,51-58)28-35(14)15;1-4-15(2,3)14(24)27-17-8-11-5-12(9-17)7-16(6-11,10-17)13(23)22-28(25,26)18(19,20)21;1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;/h29-35,39,52H,18-28H2,1-17H3;11-12H,4-10H2,1-3H3,(H,22,23);4,13H,1,5-12H2,2-3H3;5-9H2,1-4H3;/q;;;;+1/p-1
InChIKeyRQTRHWCGHBAPSX-UHFFFAOYSA-M
XLogP15.76
TPSA310.73 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds43
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001883.95
LogP ≤ 515.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate with MolForge

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Related Compounds

disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate)
CID 157188444
2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[2-[2-(2,2-dimethylbutanoyloxy)propoxy]propoxy]propyl 2,2-dimethylbutanoate;3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;dodecyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;tetrabutylazanium
CID 158794818
(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2-methylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate
CID 157306554
(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(6-hydroxy-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;(6-hydroxy-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2-methylbutanoate
CID 159019710
[3-(2,2,3,3,3-pentafluoropropanoyloxy)-1-adamantyl] 2-methylbutanoate
CID 89280319
1-O-(1-adamantyl) 5-O-[2-(2-methylbutanoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate
CID 118909140
(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2-methylbutanoate;[1,5-dihydroxy-3-(hydroxymethyl)-3-bicyclo[3.3.1]nonanyl] 2,2-dimethylbutanoate;[1,5-dihydroxy-3-(hydroxymethyl)-3-bicyclo[3.3.1]nonanyl] 2-methylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylbutanoate
CID 161421383
potassium;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoyl]-(trifluoromethylsulfonyl)azanide;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane
CID 165020721
1-adamantyl 2,2-dimethylbutanoate;butyl 2,2-dimethylbutanoate
CID 158928757
3-(1,3,7,9,11,13,15-heptaethyl-7-hydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-5-yl)propyl 2-methylbutanoate
CID 123213428
[4,4-difluoro-3-(trifluoromethyl)pentyl] 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate
CID 176774433
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 potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate?
The IUPAC name of potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate (CID 162086559) is potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate.
What is the SMILES notation for potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate?
The canonical SMILES for potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate is C=CCCCCCCCOC(=O)C(C)CC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)[N-]S(=O)(=O)C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OCCC[Si]12O[Si]3(CC(C)C)O[SiH](CC(C)C)O[Si](CC(C)C)(O[Si]4(CC(C)C)O[Si](O)(CC(C)C)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1)O2.CCC(C)(C)C(=O)OCCOCCOC.[K+].
What is the InChIKey of potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate?
The InChIKey is RQTRHWCGHBAPSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H82O14Si8.C18H26F3NO5S.C14H26O2.C11H22O4.K/c1-18-37(16,17)36(38)40-20-19-21-54-45-55(24-31(6)7)41-52(22-29(2)3)42-56(46-54,25-32(8)9)49-58(27-34(12)13)44-53(39,23-30(4)5)43-57(48-55,26-33(10)11)50-59(47-54,51-58)28-35(14)15;1-4-15(2,3)14(24)27-17-8-11-5-12(9-17)7-16(6-11,10-17)13(23)22-28(25,26)18(19,20)21;1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;/h29-35,39,52H,18-28H2,1-17H3;11-12H,4-10H2,1-3H3,(H,22,23);4,13H,1,5-12H2,2-3H3;5-9H2,1-4H3;/q;;;;+1/p-1.
What are the key properties of potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate?
potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate has a molecular weight of 1883.95 g/mol, XLogP of 15.76, 43 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]-(trifluoromethylsulfonyl)azanide;3-[7-hydroxy-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-1-yl]propyl 2,2-dimethylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;non-8-enyl 2-methylbutanoate is sourced from PubChem (CID 162086559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).