[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate

C240H396F18O58 — CID 167653165

About [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate

[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate (PubChem CID 167653165) has the molecular formula C240H396F18O58 and a molecular weight of 4551.71 g/mol. Its IUPAC name is [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate
• PubChem CID: 167653165
• Molecular Formula: C240H396F18O58
• Molecular Weight: 4551.71 g/mol
• Exact Mass: 4548.78
• IUPAC Name: [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate
• SMILES: CC(C)C1(C)CC(CC(O)(C(F)(F)F)C(F)(F)F)(c2ccc3ccccc3c2)OC1=O.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)C(O)C(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(OCCO)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3CC1CC(O)(C3)C2.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CC2CC1CC2CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1COCC1O.CCC(C)(C)C(=O)OCC(C)O.CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCC1(O)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCCC(C)O.CCC(C)(C)C(=O)OCCCCO.CCC(C)(C)C(=O)OCCO
• InChI: InChI=1S/C22H22F6O3.C18H28F6O4.C18H30O4.C17H27F3O3.C17H28O3.C16H26O5.C16H26O4.3C16H26O3.C12H21F3O3.C10H18O4.2C10H20O3.C9H18O4.C9H18O3.C8H16O3/c1-13(2)18(3)11-19(31-17(18)29,12-20(30,21(23,24)25)22(26,27)28)16-9-8-14-6-4-5-7-15(14)10-16;1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-4-16(2,3)15(20)22-18-10-13-7-14(11-18)9-17(8-13,12-18)21-6-5-19;1-5-15(2,3)14(21)23-13-8-10-6-11(13)7-12(10)9-16(4,22)17(18,19)20;1-4-16(2,3)15(18)20-10-17(19)13-6-11-5-12(8-13)9-14(17)7-11;1-4-12(2,3)11(17)21-16-8-13(18)5-14(19,9-16)7-15(20,6-13)10-16;1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-13-11-5-10-6-12(13)9-16(18,7-10)8-11;1-4-15(2,3)14(18)19-16-7-10-5-11(8-16)13(17)12(6-10)9-16;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-4-10(2,3)9(12)14-8-6-13-5-7(8)11;1-5-10(3,4)9(12)13-7-6-8(2)11;1-4-10(2,3)9(12)13-8-6-5-7-11;1-4-9(2,3)8(12)13-6-7(11)5-10;1-5-9(3,4)8(11)12-6-7(2)10;1-4-8(2,3)7(10)11-6-5-9/h4-10,13,30H,11-12H2,1-3H3;10-12,26-27H,6-9H2,1-5H3;13-14,19H,4-12H2,1-3H3;10-13,22H,5-9H2,1-4H3;11-14,19H,4-10H2,1-3H3;18-20H,4-10H2,1-3H3;11,18-19H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;10-13,18H,4-9H2,1-3H3;10-13,17H,4-9H2,1-3H3;8,17H,6-7H2,1-5H3;7-8,11H,4-6H2,1-3H3;8,11H,5-7H2,1-4H3;11H,4-8H2,1-3H3;7,10-11H,4-6H2,1-3H3;7,10H,5-6H2,1-4H3;9H,4-6H2,1-3H3
• InChIKey: QWIXBGAUPVLFCY-UHFFFAOYSA-N
• XLogP: 42.76
• TPSA: 910.62 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 58
• Rotatable Bonds: 71
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4551.71
LogP ≤ 5	42.76
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate?

The IUPAC name of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate (CID 167653165) is [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate.

What is the SMILES notation for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate?

The canonical SMILES for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate is CC(C)C1(C)CC(CC(O)(C(F)(F)F)C(F)(F)F)(c2ccc3ccccc3c2)OC1=O.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)C(O)C(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(OCCO)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3CC1CC(O)(C3)C2.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CC2CC1CC2CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1COCC1O.CCC(C)(C)C(=O)OCC(C)O.CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCC1(O)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCCC(C)O.CCC(C)(C)C(=O)OCCCCO.CCC(C)(C)C(=O)OCCO.

What is the InChIKey of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate?

The InChIKey is QWIXBGAUPVLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6O3.C18H28F6O4.C18H30O4.C17H27F3O3.C17H28O3.C16H26O5.C16H26O4.3C16H26O3.C12H21F3O3.C10H18O4.2C10H20O3.C9H18O4.C9H18O3.C8H16O3/c1-13(2)18(3)11-19(31-17(18)29,12-20(30,21(23,24)25)22(26,27)28)16-9-8-14-6-4-5-7-15(14)10-16;1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-4-16(2,3)15(20)22-18-10-13-7-14(11-18)9-17(8-13,12-18)21-6-5-19;1-5-15(2,3)14(21)23-13-8-10-6-11(13)7-12(10)9-16(4,22)17(18,19)20;1-4-16(2,3)15(18)20-10-17(19)13-6-11-5-12(8-13)9-14(17)7-11;1-4-12(2,3)11(17)21-16-8-13(18)5-14(19,9-16)7-15(20,6-13)10-16;1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-13-11-5-10-6-12(13)9-16(18,7-10)8-11;1-4-15(2,3)14(18)19-16-7-10-5-11(8-16)13(17)12(6-10)9-16;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-4-10(2,3)9(12)14-8-6-13-5-7(8)11;1-5-10(3,4)9(12)13-7-6-8(2)11;1-4-10(2,3)9(12)13-8-6-5-7-11;1-4-9(2,3)8(12)13-6-7(11)5-10;1-5-9(3,4)8(11)12-6-7(2)10;1-4-8(2,3)7(10)11-6-5-9/h4-10,13,30H,11-12H2,1-3H3;10-12,26-27H,6-9H2,1-5H3;13-14,19H,4-12H2,1-3H3;10-13,22H,5-9H2,1-4H3;11-14,19H,4-10H2,1-3H3;18-20H,4-10H2,1-3H3;11,18-19H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;10-13,18H,4-9H2,1-3H3;10-13,17H,4-9H2,1-3H3;8,17H,6-7H2,1-5H3;7-8,11H,4-6H2,1-3H3;8,11H,5-7H2,1-4H3;11H,4-8H2,1-3H3;7,10-11H,4-6H2,1-3H3;7,10H,5-6H2,1-4H3;9H,4-6H2,1-3H3.

What are the key properties of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate?

[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate has a molecular weight of 4551.71 g/mol, XLogP of 42.76, 71 rotatable bonds, 22 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-hydroxy-2-adamantyl) 2,2-dimethylbutanoate;(2-hydroxy-2-adamantyl)methyl 2,2-dimethylbutanoate;3-hydroxybutyl 2,2-dimethylbutanoate;4-hydroxybutyl 2,2-dimethylbutanoate;[3-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;(4-hydroxyoxolan-3-yl) 2,2-dimethylbutanoate;2-hydroxypropyl 2,2-dimethylbutanoate;3-methyl-5-naphthalen-2-yl-3-propan-2-yl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(3,5,7-trihydroxy-1-adamantyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 167653165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).