2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate

C132H174F20O76S10-10 — CID 158340088

IUPAC2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate
SMILESC1CC2CCC1O2.C1CC2CCC1O2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC12CC3CC(CC(OC(C)=O)(C3)C1)C2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCC(=O)O1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCCO1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1=O.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1COC(=O)C1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OCC.CC(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC1CC2CCC1C2
InChIInChI=1S/C18H24F2O8S.C14H20O2.3C10H12F2O8S.2C10H14F2O7S.C9H14O2.C8H12F2O6S.3C7H10F2O6S.2C6H10O/c1-11(8-26-10-18(19,20)29(23,24)25)15(22)28-17-6-13-3-14(7-17)5-16(4-13,9-17)27-12(2)21;1-7(15)16-12-6-10-5-11(12)14-9-3-2-8(4-9)13(10)14;1-6(3-18-5-10(11,12)21(15,16)17)9(14)20-7-2-8(13)19-4-7;1-6(4-18-5-10(11,12)21(15,16)17)8(13)20-7-2-3-19-9(7)14;1-6(4-18-5-10(11,12)21(15,16)17)9(14)20-8-3-2-7(13)19-8;1-7(9(13)19-8-2-3-17-5-8)4-18-6-10(11,12)20(14,15)16;1-7(9(13)19-8-3-2-4-18-8)5-17-6-10(11,12)20(14,15)16;1-6(10)11-9-5-7-2-3-8(9)4-7;1-3-16-7(11)6(2)4-15-5-8(9,10)17(12,13)14;3*1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13;2*1-2-6-4-3-5(1)7-6/h13-14H,1,3-10H2,2H3,(H,23,24,25);8-14H,2-6H2,1H3;2*7H,1-5H2,(H,15,16,17);8H,1-5H2,(H,15,16,17);2*8H,1-6H2,(H,14,15,16);7-9H,2-5H2,1H3;2-5H2,1H3,(H,12,13,14);3*1,3-4H2,2H3,(H,11,12,13);2*5-6H,1-4H2/p-10
InChIKeyGRBAFENGAZQXEY-UHFFFAOYSA-D
MW3677.40 g/mol
LogP8.20
Rot. Bonds70

About 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate

2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate (PubChem CID 158340088) has the molecular formula C132H174F20O76S10-10 and a molecular weight of 3677.40 g/mol. Its IUPAC name is 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate.

Molecular Properties

Compound Name2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate
PubChem CID158340088
Molecular FormulaC132H174F20O76S10-10
Molecular Weight3677.40 g/mol
Exact Mass3674.67
IUPAC Name2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate
SMILESC1CC2CCC1O2.C1CC2CCC1O2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC12CC3CC(CC(OC(C)=O)(C3)C1)C2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCC(=O)O1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCCO1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1=O.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1COC(=O)C1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OCC.CC(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC1CC2CCC1C2
InChIInChI=1S/C18H24F2O8S.C14H20O2.3C10H12F2O8S.2C10H14F2O7S.C9H14O2.C8H12F2O6S.3C7H10F2O6S.2C6H10O/c1-11(8-26-10-18(19,20)29(23,24)25)15(22)28-17-6-13-3-14(7-17)5-16(4-13,9-17)27-12(2)21;1-7(15)16-12-6-10-5-11(12)14-9-3-2-8(4-9)13(10)14;1-6(3-18-5-10(11,12)21(15,16)17)9(14)20-7-2-8(13)19-4-7;1-6(4-18-5-10(11,12)21(15,16)17)8(13)20-7-2-3-19-9(7)14;1-6(4-18-5-10(11,12)21(15,16)17)9(14)20-8-3-2-7(13)19-8;1-7(9(13)19-8-2-3-17-5-8)4-18-6-10(11,12)20(14,15)16;1-7(9(13)19-8-3-2-4-18-8)5-17-6-10(11,12)20(14,15)16;1-6(10)11-9-5-7-2-3-8(9)4-7;1-3-16-7(11)6(2)4-15-5-8(9,10)17(12,13)14;3*1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13;2*1-2-6-4-3-5(1)7-6/h13-14H,1,3-10H2,2H3,(H,23,24,25);8-14H,2-6H2,1H3;2*7H,1-5H2,(H,15,16,17);8H,1-5H2,(H,15,16,17);2*8H,1-6H2,(H,14,15,16);7-9H,2-5H2,1H3;2-5H2,1H3,(H,12,13,14);3*1,3-4H2,2H3,(H,11,12,13);2*5-6H,1-4H2/p-10
InChIKeyGRBAFENGAZQXEY-UHFFFAOYSA-D
XLogP8.20
TPSA1122.02 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds70
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003677.40
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methylprop-2-enoic acid;7-oxabicyclo[2.2.1]heptan-2-ylmethyl 2-oxopropanoate;7-oxabicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;oxolan-2-yl 2-methylprop-2-enoate;oxolan-3-yl 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 158146357
2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonic acid
CID 118231693
2-adamantyloxymethyl 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 158703331
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate;(4-methylphenyl)-diphenylsulfanium
CID 161454845
methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methylprop-2-enoic acid;2-(2-methylprop-2-enoyloxy)acetic acid;3-(2-methylprop-2-enoyloxy)propanoic acid;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 158780814
1,1-difluoro-2-oxo-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonic acid
CID 90328909
1,1,2,2-tetrafluoro-4-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]butane-1-sulfonate
CID 140679944
3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol
CID 159147037
oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 139888995
bicyclo[2.2.1]heptane;[3-(2,2-dimethylbutanoyloxy)-1-adamantyl] 2-oxooxolane-3-carboxylate;3-ethyl-3-methyloxolan-2-one;3-ethyl-3,5,5-trimethyloxolan-2-one;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;bis(methyl 2,2-dimethylbutanoate);methyl 2-oxooxolane-3-carboxylate;(2-oxooxan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) acetate;(2-oxooxolan-3-yl)methyl 2,2-dimethylbutanoate;tetracyclo[6.2.1.13,6.02,7]dodecane
CID 159879257
1,1-difluoro-2-[2-(2-hydroxy-2-methyloxan-4-yl)oxycarbonylprop-2-enoxy]ethanesulfonic acid
CID 118231702
bis(bicyclo[2.2.1]heptane-2-carbonitrile);bicyclo[2.2.1]heptane-2,3-dicarbonitrile;2-(2-bicyclo[2.2.1]heptanyl)acetonitrile;4-(2-ethoxycarbonylprop-2-enoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;spiro[bicyclo[2.2.2]octane-2,4'-oxolane]-2'-one;spiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;pentakis(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate)
CID 160689970

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate?
The IUPAC name of 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate (CID 158340088) is 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate.
What is the SMILES notation for 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate?
The canonical SMILES for 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate is C1CC2CCC1O2.C1CC2CCC1O2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC12CC3CC(CC(OC(C)=O)(C3)C1)C2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCC(=O)O1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCCO1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1CCOC1=O.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1COC(=O)C1.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OCC.CC(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC1CC2CCC1C2.
What is the InChIKey of 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate?
The InChIKey is GRBAFENGAZQXEY-UHFFFAOYSA-D. The full InChI is InChI=1S/C18H24F2O8S.C14H20O2.3C10H12F2O8S.2C10H14F2O7S.C9H14O2.C8H12F2O6S.3C7H10F2O6S.2C6H10O/c1-11(8-26-10-18(19,20)29(23,24)25)15(22)28-17-6-13-3-14(7-17)5-16(4-13,9-17)27-12(2)21;1-7(15)16-12-6-10-5-11(12)14-9-3-2-8(4-9)13(10)14;1-6(3-18-5-10(11,12)21(15,16)17)9(14)20-7-2-8(13)19-4-7;1-6(4-18-5-10(11,12)21(15,16)17)8(13)20-7-2-3-19-9(7)14;1-6(4-18-5-10(11,12)21(15,16)17)9(14)20-8-3-2-7(13)19-8;1-7(9(13)19-8-2-3-17-5-8)4-18-6-10(11,12)20(14,15)16;1-7(9(13)19-8-3-2-4-18-8)5-17-6-10(11,12)20(14,15)16;1-6(10)11-9-5-7-2-3-8(9)4-7;1-3-16-7(11)6(2)4-15-5-8(9,10)17(12,13)14;3*1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13;2*1-2-6-4-3-5(1)7-6/h13-14H,1,3-10H2,2H3,(H,23,24,25);8-14H,2-6H2,1H3;2*7H,1-5H2,(H,15,16,17);8H,1-5H2,(H,15,16,17);2*8H,1-6H2,(H,14,15,16);7-9H,2-5H2,1H3;2-5H2,1H3,(H,12,13,14);3*1,3-4H2,2H3,(H,11,12,13);2*5-6H,1-4H2/p-10.
What are the key properties of 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate?
2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate has a molecular weight of 3677.40 g/mol, XLogP of 8.20, 70 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-acetyloxy-1-adamantyl)oxycarbonyl]prop-2-enoxy]-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl acetate;tris(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-(oxolan-2-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(oxolan-3-yloxycarbonyl)prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(2-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-2-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-(5-oxooxolan-3-yl)oxycarbonylprop-2-enoxy]ethanesulfonate;2-(2-ethoxycarbonylprop-2-enoxy)-1,1-difluoroethanesulfonate;bis(7-oxabicyclo[2.2.1]heptane);4-tetracyclo[6.2.1.13,6.02,7]dodecanyl acetate is sourced from PubChem (CID 158340088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).