bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol

C226H414F13NO36S2 — CID 160975978

IUPACbicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C(=O)CC(=O)C1C.CC1C2CC(C(=O)O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C)c(C(=O)O)c(C)c1.CCC(C)c1ccc(C(=O)O)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(S(=O)(=O)O)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1ccccc1C(=O)O.CCC(C)c1ccccc1O.CCC1CC(C)(O)CC1(F)CC.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCC1
InChIInChI=1S/C17H26O4.C13H18F6O.C13H17F3O.C13H18O2.2C11H14O2.C10H19FO.C10H15NO2S.C10H14O3S.C10H16O2.3C10H14O.C8H15F3O.C8H12O2.C7H10O2.C7H12O2.2C7H14O2.C6H12O2.28CH4/c1-4-15(2,3)14(20)21-17-8-11-5-12(9-17)7-16(6-11,10-17)13(18)19;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13(14)15)10(4)7-11;1-3-8(2)9-4-6-10(7-5-9)11(12)13;1-3-8(2)9-6-4-5-7-10(9)11(12)13;1-4-8-6-9(3,12)7-10(8,11)5-2;2*1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-6(2)8-3-7(5)4-9(8)10(11)12;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11;1-4-6(2)5-7(3,12)8(9,10)11;9-8(10)7-4-5-1-2-6(7)3-5;1-4-5(2)7(9)3-6(4)8;8-7(9)6-4-2-1-3-5-6;2*1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h11-12H,4-10H2,1-3H3,(H,18,19);6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;6-8H,5H2,1-4H3,(H,14,15);2*4-8H,3H2,1-2H3,(H,12,13);8,12H,4-7H2,1-3H3;4-8H,3H2,1-2H3,(H2,11,12,13);4-8H,3H2,1-2H3,(H,11,12,13);5-9H,3-4H2,1-2H3,(H,11,12);3*4-8,11H,3H2,1-2H3;6,12H,4-5H2,1-3H3;5-7H,1-4H2,(H,9,10);4-5H,3H2,1-2H3;6H,1-5H2,(H,8,9);2*5H2,1-4H3;4H2,1-3H3,(H,7,8);28*1H4
InChIKeySYWGVJVZEDOHAD-UHFFFAOYSA-N
MW4032.88 g/mol
LogP67.72
Rot. Bonds44

About bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol

bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol (PubChem CID 160975978) has the molecular formula C226H414F13NO36S2 and a molecular weight of 4032.88 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol
PubChem CID160975978
Molecular FormulaC226H414F13NO36S2
Molecular Weight4032.88 g/mol
Exact Mass4029.98
IUPAC Namebicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C(=O)CC(=O)C1C.CC1C2CC(C(=O)O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C)c(C(=O)O)c(C)c1.CCC(C)c1ccc(C(=O)O)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(S(=O)(=O)O)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1ccccc1C(=O)O.CCC(C)c1ccccc1O.CCC1CC(C)(O)CC1(F)CC.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCC1
InChIInChI=1S/C17H26O4.C13H18F6O.C13H17F3O.C13H18O2.2C11H14O2.C10H19FO.C10H15NO2S.C10H14O3S.C10H16O2.3C10H14O.C8H15F3O.C8H12O2.C7H10O2.C7H12O2.2C7H14O2.C6H12O2.28CH4/c1-4-15(2,3)14(20)21-17-8-11-5-12(9-17)7-16(6-11,10-17)13(18)19;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13(14)15)10(4)7-11;1-3-8(2)9-4-6-10(7-5-9)11(12)13;1-3-8(2)9-6-4-5-7-10(9)11(12)13;1-4-8-6-9(3,12)7-10(8,11)5-2;2*1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-6(2)8-3-7(5)4-9(8)10(11)12;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11;1-4-6(2)5-7(3,12)8(9,10)11;9-8(10)7-4-5-1-2-6(7)3-5;1-4-5(2)7(9)3-6(4)8;8-7(9)6-4-2-1-3-5-6;2*1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h11-12H,4-10H2,1-3H3,(H,18,19);6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;6-8H,5H2,1-4H3,(H,14,15);2*4-8H,3H2,1-2H3,(H,12,13);8,12H,4-7H2,1-3H3;4-8H,3H2,1-2H3,(H2,11,12,13);4-8H,3H2,1-2H3,(H,11,12,13);5-9H,3-4H2,1-2H3,(H,11,12);3*4-8,11H,3H2,1-2H3;6,12H,4-5H2,1-3H3;5-7H,1-4H2,(H,9,10);4-5H,3H2,1-2H3;6H,1-5H2,(H,8,9);2*5H2,1-4H3;4H2,1-3H3,(H,7,8);28*1H4
InChIKeySYWGVJVZEDOHAD-UHFFFAOYSA-N
XLogP67.72
TPSA667.58 Ų
H-Bond Donors17
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004032.88
LogP ≤ 567.72
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1027

Analyze bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione
CID 123211083
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-methylsulfonylbutanamide;5,6-dimethyl-N-(trifluoromethylsulfonyl)bicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
CID 160689197
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3,4-dimethyloxolane-2,5-dione;methyl 2,2-dimethylbutanoate
CID 123908003
3-butan-2-ylphenol;4-butan-2-ylphenol;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);5-phenyldibenzothiophen-5-ium
CID 165043415
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-methylsulfonylbutanamide;5,6-dimethyl-N-(trifluoromethylsulfonyl)bicyclo[2.2.1]heptane-2-carboxamide;methane;methyl 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
CID 159266895
bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 2,2-dimethylbutanoate;methyl 2-methylbutanoate
CID 157372663
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;N-cyclohexylsulfonyl-2,2-dimethylbutanamide;5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-methylsulfonylbutanamide;5,6-dimethyl-N-(trifluoromethylsulfonyl)bicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;methane;methyl 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
CID 161394061
4-butan-2-ylphenol;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;2-pyridin-4-ylpropan-2-yl 2,2-dimethylbutanoate
CID 158982271
4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-(2,2-dimethylbutanoyloxy)-2,2-difluorobutane-1-sulfonic acid;(2-ethyl-2-adamantyl) 2,2-dimethylbutanoate;methane;triphenylsulfanium
CID 158925366
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;butan-2-ylbenzene;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;2-(4-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
CID 161159454
butan-2-ylbenzene;1-butan-2-ylnaphthalene;2-butan-2-ylnaphthalene;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;ethane;methane;naphthalen-2-yl 2,2-dimethylbutanoate;phenyl 2,2-dimethylbutanoate
CID 158585618
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate
CID 160928377

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol?
The IUPAC name of bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol (CID 160975978) is bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C(=O)CC(=O)C1C.CC1C2CC(C(=O)O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C)c(C(=O)O)c(C)c1.CCC(C)c1ccc(C(=O)O)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(S(=O)(=O)O)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1ccccc1C(=O)O.CCC(C)c1ccccc1O.CCC1CC(C)(O)CC1(F)CC.O=C(O)C1CC2CCC1C2.O=C(O)C1CCCCC1.
What is the InChIKey of bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol?
The InChIKey is SYWGVJVZEDOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4.C13H18F6O.C13H17F3O.C13H18O2.2C11H14O2.C10H19FO.C10H15NO2S.C10H14O3S.C10H16O2.3C10H14O.C8H15F3O.C8H12O2.C7H10O2.C7H12O2.2C7H14O2.C6H12O2.28CH4/c1-4-15(2,3)14(20)21-17-8-11-5-12(9-17)7-16(6-11,10-17)13(18)19;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13(14)15)10(4)7-11;1-3-8(2)9-4-6-10(7-5-9)11(12)13;1-3-8(2)9-6-4-5-7-10(9)11(12)13;1-4-8-6-9(3,12)7-10(8,11)5-2;2*1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-6(2)8-3-7(5)4-9(8)10(11)12;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11;1-4-6(2)5-7(3,12)8(9,10)11;9-8(10)7-4-5-1-2-6(7)3-5;1-4-5(2)7(9)3-6(4)8;8-7(9)6-4-2-1-3-5-6;2*1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h11-12H,4-10H2,1-3H3,(H,18,19);6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;6-8H,5H2,1-4H3,(H,14,15);2*4-8H,3H2,1-2H3,(H,12,13);8,12H,4-7H2,1-3H3;4-8H,3H2,1-2H3,(H2,11,12,13);4-8H,3H2,1-2H3,(H,11,12,13);5-9H,3-4H2,1-2H3,(H,11,12);3*4-8,11H,3H2,1-2H3;6,12H,4-5H2,1-3H3;5-7H,1-4H2,(H,9,10);4-5H,3H2,1-2H3;6H,1-5H2,(H,8,9);2*5H2,1-4H3;4H2,1-3H3,(H,7,8);28*1H4.
What are the key properties of bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol?
bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol has a molecular weight of 4032.88 g/mol, XLogP of 67.72, 44 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2-carboxylic acid;4-butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexanecarboxylic acid;3,4-diethyl-3-fluoro-1-methylcyclopentan-1-ol;5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethylbutanoic acid;3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;4,5-dimethylcyclopentane-1,3-dione;methane;bis(methyl 2,2-dimethylbutanoate);1,1,1-trifluoro-2,4-dimethylhexan-2-ol is sourced from PubChem (CID 160975978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).