2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate

C138H211O84S15-15 — CID 158305451

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate
SMILESCC1(C)COC(=O)C1OC(=O)CS(=O)(=O)[O-].CC1OC(=O)CC1(C)OC(=O)CS(=O)(=O)[O-].O=C(CC1CCOC1=O)CS(=O)(=O)[O-].O=C(CS(=O)(=O)[O-])OC1CCC2CCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCC2CCCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCOC1=O.O=C(CS(=O)(=O)[O-])OCC12CC3CC(CC(C3)C1)C2.O=C(CS(=O)(=O)[O-])OCC1CC2CCC1C2.O=C(CS(=O)(=O)[O-])OCC1CCCC1.O=C(CS(=O)(=O)[O-])OCC1CCCCC1.O=C1CC(OC(=O)CS(=O)(=O)[O-])CO1
InChIInChI=1S/C13H20O5S.C12H20O5S.C12H22O5S.C11H18O5S.C11H20O5S.C10H16O5S.C10H18O5S.C9H16O5S.2C8H12O7S.C8H14O5S.C7H10O6S.C7H12O5S.2C6H8O7S/c14-12(7-19(15,16)17)18-8-13-4-9-1-10(5-13)3-11(2-9)6-13;13-12(8-18(14,15)16)17-11-6-5-9-3-1-2-4-10(9)7-11;13-12(10-18(14,15)16)17-11-8-6-4-2-1-3-5-7-9-11;12-11(7-17(13,14)15)16-10-5-4-8-2-1-3-9(8)6-10;12-11(9-17(13,14)15)16-10-7-5-3-1-2-4-6-8-10;11-10(6-16(12,13)14)15-5-9-4-7-1-2-8(9)3-7;11-10(8-16(12,13)14)15-9-6-4-2-1-3-5-7-9;10-9(7-15(11,12)13)14-6-8-4-2-1-3-5-8;1-8(2)4-14-7(10)6(8)15-5(9)3-16(11,12)13;1-5-8(2,3-6(9)14-5)15-7(10)4-16(11,12)13;9-8(6-14(10,11)12)13-5-7-3-1-2-4-7;8-6(4-14(10,11)12)3-5-1-2-13-7(5)9;8-7(5-13(9,10)11)12-6-3-1-2-4-6;7-5-1-4(2-12-5)13-6(8)3-14(9,10)11;7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h9-11H,1-8H2,(H,15,16,17);9-11H,1-8H2,(H,14,15,16);11H,1-10H2,(H,14,15,16);8-10H,1-7H2,(H,13,14,15);10H,1-9H2,(H,13,14,15);7-9H,1-6H2,(H,12,13,14);9H,1-8H2,(H,12,13,14);8H,1-7H2,(H,11,12,13);6H,3-4H2,1-2H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);7H,1-6H2,(H,10,11,12);5H,1-4H2,(H,10,11,12);6H,1-5H2,(H,9,10,11);2*4H,1-3H2,(H,9,10,11)/p-15
InChIKeyGNAJGBSQHOCNIY-UHFFFAOYSA-A
MW3695.13 g/mol
LogP3.98
Rot. Bonds50

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate (PubChem CID 158305451) has the molecular formula C138H211O84S15-15 and a molecular weight of 3695.13 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate
PubChem CID158305451
Molecular FormulaC138H211O84S15-15
Molecular Weight3695.13 g/mol
Exact Mass3691.81
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate
SMILESCC1(C)COC(=O)C1OC(=O)CS(=O)(=O)[O-].CC1OC(=O)CC1(C)OC(=O)CS(=O)(=O)[O-].O=C(CC1CCOC1=O)CS(=O)(=O)[O-].O=C(CS(=O)(=O)[O-])OC1CCC2CCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCC2CCCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCOC1=O.O=C(CS(=O)(=O)[O-])OCC12CC3CC(CC(C3)C1)C2.O=C(CS(=O)(=O)[O-])OCC1CC2CCC1C2.O=C(CS(=O)(=O)[O-])OCC1CCCC1.O=C(CS(=O)(=O)[O-])OCC1CCCCC1.O=C1CC(OC(=O)CS(=O)(=O)[O-])CO1
InChIInChI=1S/C13H20O5S.C12H20O5S.C12H22O5S.C11H18O5S.C11H20O5S.C10H16O5S.C10H18O5S.C9H16O5S.2C8H12O7S.C8H14O5S.C7H10O6S.C7H12O5S.2C6H8O7S/c14-12(7-19(15,16)17)18-8-13-4-9-1-10(5-13)3-11(2-9)6-13;13-12(8-18(14,15)16)17-11-6-5-9-3-1-2-4-10(9)7-11;13-12(10-18(14,15)16)17-11-8-6-4-2-1-3-5-7-9-11;12-11(7-17(13,14)15)16-10-5-4-8-2-1-3-9(8)6-10;12-11(9-17(13,14)15)16-10-7-5-3-1-2-4-6-8-10;11-10(6-16(12,13)14)15-5-9-4-7-1-2-8(9)3-7;11-10(8-16(12,13)14)15-9-6-4-2-1-3-5-7-9;10-9(7-15(11,12)13)14-6-8-4-2-1-3-5-8;1-8(2)4-14-7(10)6(8)15-5(9)3-16(11,12)13;1-5-8(2,3-6(9)14-5)15-7(10)4-16(11,12)13;9-8(6-14(10,11)12)13-5-7-3-1-2-4-7;8-6(4-14(10,11)12)3-5-1-2-13-7(5)9;8-7(5-13(9,10)11)12-6-3-1-2-4-6;7-5-1-4(2-12-5)13-6(8)3-14(9,10)11;7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h9-11H,1-8H2,(H,15,16,17);9-11H,1-8H2,(H,14,15,16);11H,1-10H2,(H,14,15,16);8-10H,1-7H2,(H,13,14,15);10H,1-9H2,(H,13,14,15);7-9H,1-6H2,(H,12,13,14);9H,1-8H2,(H,12,13,14);8H,1-7H2,(H,11,12,13);6H,3-4H2,1-2H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);7H,1-6H2,(H,10,11,12);5H,1-4H2,(H,10,11,12);6H,1-5H2,(H,9,10,11);2*4H,1-3H2,(H,9,10,11)/p-15
InChIKeyGNAJGBSQHOCNIY-UHFFFAOYSA-A
XLogP3.98
TPSA1374.77 Ų
H-Bond Donors
H-Bond Acceptors84
Rotatable Bonds50
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003695.13
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1084

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
CID 159527310
[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 158319450
(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
CID 158862008
[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251643
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;[3-(4-methoxyphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;[5-(4-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-difluoropropanoate;[3-(4-methylphenyl)-1-adamantyl] 2,2-difluoropropanoate;[4-(4-methylphenyl)cyclohexyl] 2,2-difluoropropanoate;[4-[(4-methylphenyl)methyl]-8-tricyclo[5.2.1.02,6]decanyl]methyl 2,2-difluoropropanoate;oxan-2-ylmethyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate
CID 158605144
[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-oxidoperoxysulfanylpropanoate);[2-(1-adamantylmethoxy)-2-oxoethyl] 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159734333
1,4-bis[(4,4-dimethyl-2-oxooxolan-3-yl)oxy]-1,4-dioxobutane-2-sulfonate
CID 140586125
1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclododecylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-cyclohexylbutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-cyclohexylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;3-cyclohexylpropyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;oxan-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 157300247
2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate
CID 165040524
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(4-methoxy-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate
CID 161184666
(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
CID 158076392
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate (CID 158305451) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate is CC1(C)COC(=O)C1OC(=O)CS(=O)(=O)[O-].CC1OC(=O)CC1(C)OC(=O)CS(=O)(=O)[O-].O=C(CC1CCOC1=O)CS(=O)(=O)[O-].O=C(CS(=O)(=O)[O-])OC1CCC2CCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCC2CCCCC2C1.O=C(CS(=O)(=O)[O-])OC1CCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCCCCCCCC1.O=C(CS(=O)(=O)[O-])OC1CCOC1=O.O=C(CS(=O)(=O)[O-])OCC12CC3CC(CC(C3)C1)C2.O=C(CS(=O)(=O)[O-])OCC1CC2CCC1C2.O=C(CS(=O)(=O)[O-])OCC1CCCC1.O=C(CS(=O)(=O)[O-])OCC1CCCCC1.O=C1CC(OC(=O)CS(=O)(=O)[O-])CO1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate?
The InChIKey is GNAJGBSQHOCNIY-UHFFFAOYSA-A. The full InChI is InChI=1S/C13H20O5S.C12H20O5S.C12H22O5S.C11H18O5S.C11H20O5S.C10H16O5S.C10H18O5S.C9H16O5S.2C8H12O7S.C8H14O5S.C7H10O6S.C7H12O5S.2C6H8O7S/c14-12(7-19(15,16)17)18-8-13-4-9-1-10(5-13)3-11(2-9)6-13;13-12(8-18(14,15)16)17-11-6-5-9-3-1-2-4-10(9)7-11;13-12(10-18(14,15)16)17-11-8-6-4-2-1-3-5-7-9-11;12-11(7-17(13,14)15)16-10-5-4-8-2-1-3-9(8)6-10;12-11(9-17(13,14)15)16-10-7-5-3-1-2-4-6-8-10;11-10(6-16(12,13)14)15-5-9-4-7-1-2-8(9)3-7;11-10(8-16(12,13)14)15-9-6-4-2-1-3-5-7-9;10-9(7-15(11,12)13)14-6-8-4-2-1-3-5-8;1-8(2)4-14-7(10)6(8)15-5(9)3-16(11,12)13;1-5-8(2,3-6(9)14-5)15-7(10)4-16(11,12)13;9-8(6-14(10,11)12)13-5-7-3-1-2-4-7;8-6(4-14(10,11)12)3-5-1-2-13-7(5)9;8-7(5-13(9,10)11)12-6-3-1-2-4-6;7-5-1-4(2-12-5)13-6(8)3-14(9,10)11;7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h9-11H,1-8H2,(H,15,16,17);9-11H,1-8H2,(H,14,15,16);11H,1-10H2,(H,14,15,16);8-10H,1-7H2,(H,13,14,15);10H,1-9H2,(H,13,14,15);7-9H,1-6H2,(H,12,13,14);9H,1-8H2,(H,12,13,14);8H,1-7H2,(H,11,12,13);6H,3-4H2,1-2H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);7H,1-6H2,(H,10,11,12);5H,1-4H2,(H,10,11,12);6H,1-5H2,(H,9,10,11);2*4H,1-3H2,(H,9,10,11)/p-15.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate has a molecular weight of 3695.13 g/mol, XLogP of 3.98, 50 rotatable bonds, 0 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-oxoethanesulfonate;2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-2-oxoethanesulfonate;2-(1-adamantylmethoxy)-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethanesulfonate;2-cyclodecyloxy-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-2-oxoethanesulfonate;2-cyclononyloxy-2-oxoethanesulfonate;2-cyclooctyloxy-2-oxoethanesulfonate;2-(cyclopentylmethoxy)-2-oxoethanesulfonate;2-cyclopentyloxy-2-oxoethanesulfonate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-oxoethanesulfonate;2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-2-(5-oxooxolan-3-yl)oxyethanesulfonate;2-oxo-3-(2-oxooxolan-3-yl)propane-1-sulfonate is sourced from PubChem (CID 158305451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).