5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate

C105H148F24O39S6-6 — CID 162209648

IUPAC5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate
SMILESC=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1CCCCC1.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOCC.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32F4O6S.C21H30F4O6S.C20H28F4O7S.C16H24F4O7S.C14H22F4O6S.C12H18F4O7S/c1-3-20(17-9-15-8-16(11-17)12-18(20)10-15)32-19(27)14(2)13-31-7-5-4-6-21(23,24)22(25,26)33(28,29)30;1-13(12-30-6-4-3-5-20(22,23)21(24,25)32(27,28)29)18(26)31-19(2)16-8-14-7-15(10-16)11-17(19)9-14;1-12(10-29-4-2-3-19(21,22)20(23,24)32(26,27)28)18(25)31-11-30-17-15-6-13-5-14(8-15)9-16(17)7-13;1-12(14(21)27-11-26-13-6-3-2-4-7-13)10-25-9-5-8-15(17,18)16(19,20)28(22,23)24;1-10(11(19)24-12(2,3)4)9-23-8-6-5-7-13(15,16)14(17,18)25(20,21)22;1-3-21-8-23-10(17)9(2)7-22-6-4-5-11(13,14)12(15,16)24(18,19)20/h15-18H,2-13H2,1H3,(H,28,29,30);14-17H,1,3-12H2,2H3,(H,27,28,29);13-17H,1-11H2,(H,26,27,28);13H,1-11H2,(H,22,23,24);1,5-9H2,2-4H3,(H,20,21,22);2-8H2,1H3,(H,18,19,20)/p-6
InChIKeyZSRCJQBPLMXLSY-UHFFFAOYSA-H
MW2682.65 g/mol
LogP19.82
Rot. Bonds69

About 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate

5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate (PubChem CID 162209648) has the molecular formula C105H148F24O39S6-6 and a molecular weight of 2682.65 g/mol. Its IUPAC name is 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate.

Molecular Properties

Compound Name5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate
PubChem CID162209648
Molecular FormulaC105H148F24O39S6-6
Molecular Weight2682.65 g/mol
Exact Mass2680.76
IUPAC Name5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate
SMILESC=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1CCCCC1.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOCC.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32F4O6S.C21H30F4O6S.C20H28F4O7S.C16H24F4O7S.C14H22F4O6S.C12H18F4O7S/c1-3-20(17-9-15-8-16(11-17)12-18(20)10-15)32-19(27)14(2)13-31-7-5-4-6-21(23,24)22(25,26)33(28,29)30;1-13(12-30-6-4-3-5-20(22,23)21(24,25)32(27,28)29)18(26)31-19(2)16-8-14-7-15(10-16)11-17(19)9-14;1-12(10-29-4-2-3-19(21,22)20(23,24)32(26,27)28)18(25)31-11-30-17-15-6-13-5-14(8-15)9-16(17)7-13;1-12(14(21)27-11-26-13-6-3-2-4-7-13)10-25-9-5-8-15(17,18)16(19,20)28(22,23)24;1-10(11(19)24-12(2,3)4)9-23-8-6-5-7-13(15,16)14(17,18)25(20,21)22;1-3-21-8-23-10(17)9(2)7-22-6-4-5-11(13,14)12(15,16)24(18,19)20/h15-18H,2-13H2,1H3,(H,28,29,30);14-17H,1,3-12H2,2H3,(H,27,28,29);13-17H,1-11H2,(H,26,27,28);13H,1-11H2,(H,22,23,24);1,5-9H2,2-4H3,(H,20,21,22);2-8H2,1H3,(H,18,19,20)/p-6
InChIKeyZSRCJQBPLMXLSY-UHFFFAOYSA-H
XLogP19.82
TPSA584.07 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds69
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002682.65
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate with MolForge

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Related Compounds

3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate
CID 159444009
1,1,2,2-tetrafluoro-6-[2-(2-hydroxyethoxycarbonyl)prop-2-enoxy]hexane-1-sulfonate
CID 140679957
2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate
CID 163477944
1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate
CID 158872385
1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate
CID 123152358
cycloheptyloxymethyl 2-methylprop-2-enoate;cyclohexylmethoxymethyl 2-methylprop-2-enoate;cyclopentylmethoxymethyl 2-methylprop-2-enoate;(2-methyl-2-adamantyl)methoxymethyl 2-methylprop-2-enoate
CID 159774574
4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate
CID 89113961
cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
CID 161135668
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 160783432
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2,2-dimethylbutanoate;[cyclohexyl(methoxy)methyl] 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;ethoxymethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate
CID 161408887
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 162118755
ethane;(2-methyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate
CID 143714438

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate?
The IUPAC name of 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate (CID 162209648) is 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate.
What is the SMILES notation for 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate?
The canonical SMILES for 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate is C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOC1CCCCC1.C=C(COCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCOCC.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1(CC)C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate?
The InChIKey is ZSRCJQBPLMXLSY-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H32F4O6S.C21H30F4O6S.C20H28F4O7S.C16H24F4O7S.C14H22F4O6S.C12H18F4O7S/c1-3-20(17-9-15-8-16(11-17)12-18(20)10-15)32-19(27)14(2)13-31-7-5-4-6-21(23,24)22(25,26)33(28,29)30;1-13(12-30-6-4-3-5-20(22,23)21(24,25)32(27,28)29)18(26)31-19(2)16-8-14-7-15(10-16)11-17(19)9-14;1-12(10-29-4-2-3-19(21,22)20(23,24)32(26,27)28)18(25)31-11-30-17-15-6-13-5-14(8-15)9-16(17)7-13;1-12(14(21)27-11-26-13-6-3-2-4-7-13)10-25-9-5-8-15(17,18)16(19,20)28(22,23)24;1-10(11(19)24-12(2,3)4)9-23-8-6-5-7-13(15,16)14(17,18)25(20,21)22;1-3-21-8-23-10(17)9(2)7-22-6-4-5-11(13,14)12(15,16)24(18,19)20/h15-18H,2-13H2,1H3,(H,28,29,30);14-17H,1,3-12H2,2H3,(H,27,28,29);13-17H,1-11H2,(H,26,27,28);13H,1-11H2,(H,22,23,24);1,5-9H2,2-4H3,(H,20,21,22);2-8H2,1H3,(H,18,19,20)/p-6.
What are the key properties of 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate?
5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate has a molecular weight of 2682.65 g/mol, XLogP of 19.82, 69 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;5-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1,2,2-tetrafluoropentane-1-sulfonate;6-[2-[(2-ethyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methyl-2-adamantyl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enoxy]hexane-1-sulfonate is sourced from PubChem (CID 162209648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).