2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate

C107H120F36O39S6-6 — CID 161225559

IUPAC2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate
SMILESC.CC1(C)Cc2cccc(OCCOC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c2O1.CC1C2CC3C1OC(=O)C3C2C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C(C1CCCCC1)C1CCCCC1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(C1)C1(OCCO1)C(C3)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CC1C1C3C=CC(C3)C21.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C13
InChIInChI=1S/C24H26F6O9S.C18H26F6O5S.C17H20F6O7S.C17H18F6O5S.C16H18F6O6S.C14H14F6O7S.CH4/c25-23(26,27)22(24(28,29)30,8-40(34,35)36)39-19(32)15-13-4-12-14(15)18(31)37-16(12)17(13)38-20(33)21-5-9-1-10(6-21)3-11(2-9)7-21;19-17(20,21)16(18(22,23)24,11-30(26,27)28)29-15(25)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;18-16(19,20)14(17(21,22)23,8-31(25,26)27)30-12(24)13-5-9-3-10(6-13)15(11(4-9)7-13)28-1-2-29-15;18-16(19,20)15(17(21,22)23,6-29(25,26)27)28-14(24)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;1-13(2)8-10-4-3-5-11(12(10)28-13)26-6-7-27-14(15(17,18)19,16(20,21)22)9-29(23,24)25;1-4-5-2-6-8(10(21)26-9(4)6)7(5)11(22)27-12(13(15,16)17,14(18,19)20)3-28(23,24)25;/h9-17H,1-8H2,(H,34,35,36);12-14H,1-11H2,(H,26,27,28);9-11H,1-8H2,(H,25,26,27);1-2,7-13H,3-6H2,(H,25,26,27);3-5H,6-9H2,1-2H3,(H,23,24,25);4-9H,2-3H2,1H3,(H,23,24,25);1H4/p-6
InChIKeyUYBMRZVUZGIIAB-UHFFFAOYSA-H
MW2906.43 g/mol
LogP18.35
Rot. Bonds31

About 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate

2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 161225559) has the molecular formula C107H120F36O39S6-6 and a molecular weight of 2906.43 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID161225559
Molecular FormulaC107H120F36O39S6-6
Molecular Weight2906.43 g/mol
Exact Mass2904.52
IUPAC Name2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate
SMILESC.CC1(C)Cc2cccc(OCCOC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c2O1.CC1C2CC3C1OC(=O)C3C2C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C(C1CCCCC1)C1CCCCC1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(C1)C1(OCCO1)C(C3)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CC1C1C3C=CC(C3)C21.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C13
InChIInChI=1S/C24H26F6O9S.C18H26F6O5S.C17H20F6O7S.C17H18F6O5S.C16H18F6O6S.C14H14F6O7S.CH4/c25-23(26,27)22(24(28,29)30,8-40(34,35)36)39-19(32)15-13-4-12-14(15)18(31)37-16(12)17(13)38-20(33)21-5-9-1-10(6-21)3-11(2-9)7-21;19-17(20,21)16(18(22,23)24,11-30(26,27)28)29-15(25)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;18-16(19,20)14(17(21,22)23,8-31(25,26)27)30-12(24)13-5-9-3-10(6-13)15(11(4-9)7-13)28-1-2-29-15;18-16(19,20)15(17(21,22)23,6-29(25,26)27)28-14(24)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;1-13(2)8-10-4-3-5-11(12(10)28-13)26-6-7-27-14(15(17,18)19,16(20,21)22)9-29(23,24)25;1-4-5-2-6-8(10(21)26-9(4)6)7(5)11(22)27-12(13(15,16)17,14(18,19)20)3-28(23,24)25;/h9-17H,1-8H2,(H,34,35,36);12-14H,1-11H2,(H,26,27,28);9-11H,1-8H2,(H,25,26,27);1-2,7-13H,3-6H2,(H,25,26,27);3-5H,6-9H2,1-2H3,(H,23,24,25);4-9H,2-3H2,1H3,(H,23,24,25);1H4/p-6
InChIKeyUYBMRZVUZGIIAB-UHFFFAOYSA-H
XLogP18.35
TPSA599.75 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002906.43
LogP ≤ 518.35
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': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate (CID 161225559) is 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate is C.CC1(C)Cc2cccc(OCCOC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c2O1.CC1C2CC3C1OC(=O)C3C2C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C(C1CCCCC1)C1CCCCC1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(C1)C1(OCCO1)C(C3)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CC1C1C3C=CC(C3)C21.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C13.
What is the InChIKey of 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is UYBMRZVUZGIIAB-UHFFFAOYSA-H. The full InChI is InChI=1S/C24H26F6O9S.C18H26F6O5S.C17H20F6O7S.C17H18F6O5S.C16H18F6O6S.C14H14F6O7S.CH4/c25-23(26,27)22(24(28,29)30,8-40(34,35)36)39-19(32)15-13-4-12-14(15)18(31)37-16(12)17(13)38-20(33)21-5-9-1-10(6-21)3-11(2-9)7-21;19-17(20,21)16(18(22,23)24,11-30(26,27)28)29-15(25)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;18-16(19,20)14(17(21,22)23,8-31(25,26)27)30-12(24)13-5-9-3-10(6-13)15(11(4-9)7-13)28-1-2-29-15;18-16(19,20)15(17(21,22)23,6-29(25,26)27)28-14(24)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;1-13(2)8-10-4-3-5-11(12(10)28-13)26-6-7-27-14(15(17,18)19,16(20,21)22)9-29(23,24)25;1-4-5-2-6-8(10(21)26-9(4)6)7(5)11(22)27-12(13(15,16)17,14(18,19)20)3-28(23,24)25;/h9-17H,1-8H2,(H,34,35,36);12-14H,1-11H2,(H,26,27,28);9-11H,1-8H2,(H,25,26,27);1-2,7-13H,3-6H2,(H,25,26,27);3-5H,6-9H2,1-2H3,(H,23,24,25);4-9H,2-3H2,1H3,(H,23,24,25);1H4/p-6.
What are the key properties of 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 2906.43 g/mol, XLogP of 18.35, 31 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dicyclohexylacetyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;methane;3,3,3-trifluoro-2-(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(spiro[1,3-dioxolane-2,4'-adamantane]-1'-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 161225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).