[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate

C106H143F15O29 — CID 158258170

About [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate

[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate (PubChem CID 158258170) has the molecular formula C106H143F15O29 and a molecular weight of 2166.25 g/mol. Its IUPAC name is [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate
• PubChem CID: 158258170
• Molecular Formula: C106H143F15O29
• Molecular Weight: 2166.25 g/mol
• Exact Mass: 2164.95
• IUPAC Name: [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(C)(COC(=O)C(C)(C)O)COC(=O)C(C)(C)O.CCC(C)(C)C(=O)Oc1ccc(C(=O)OC(C)(C)C(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(C(=O)OCC(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(OCC(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(OCC(C)(O)C(F)(F)F)ccc2c1
• InChI: InChI=1S/C20H23F3O4.C19H25F3O5.C19H34O8.C17H21F3O5.C16H21F3O4.C15H19F3O3/c1-5-18(2,3)17(24)27-16-9-7-13-10-15(8-6-14(13)11-16)26-12-19(4,25)20(21,22)23;1-7-16(2,3)15(24)26-13-10-8-12(9-11-13)14(23)27-17(4,5)18(6,25)19(20,21)22;1-9-16(2,3)13(20)25-10-19(8,11-26-14(21)17(4,5)23)12-27-15(22)18(6,7)24;1-5-15(2,3)14(22)25-12-8-6-11(7-9-12)13(21)24-10-16(4,23)17(18,19)20;1-5-14(2,3)13(20)23-12-8-6-11(7-9-12)22-10-15(4,21)16(17,18)19;1-5-13(2,3)12(19)21-11-8-6-10(7-9-11)14(4,20)15(16,17)18/h6-11,25H,5,12H2,1-4H3;8-11,25H,7H2,1-6H3;23-24H,9-12H2,1-8H3;6-9,23H,5,10H2,1-4H3;6-9,21H,5,10H2,1-4H3;6-9,20H,5H2,1-4H3
• InChIKey: GHNQYZBVYWENLN-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 423.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.25
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate?

The IUPAC name of [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate (CID 158258170) is [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate?

The canonical SMILES for [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(C)(COC(=O)C(C)(C)O)COC(=O)C(C)(C)O.CCC(C)(C)C(=O)Oc1ccc(C(=O)OC(C)(C)C(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(C(=O)OCC(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc(OCC(C)(O)C(F)(F)F)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(OCC(C)(O)C(F)(F)F)ccc2c1.

What is the InChIKey of [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate?

The InChIKey is GHNQYZBVYWENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3O4.C19H25F3O5.C19H34O8.C17H21F3O5.C16H21F3O4.C15H19F3O3/c1-5-18(2,3)17(24)27-16-9-7-13-10-15(8-6-14(13)11-16)26-12-19(4,25)20(21,22)23;1-7-16(2,3)15(24)26-13-10-8-12(9-11-13)14(23)27-17(4,5)18(6,25)19(20,21)22;1-9-16(2,3)13(20)25-10-19(8,11-26-14(21)17(4,5)23)12-27-15(22)18(6,7)24;1-5-15(2,3)14(22)25-12-8-6-11(7-9-12)13(21)24-10-16(4,23)17(18,19)20;1-5-14(2,3)13(20)23-12-8-6-11(7-9-12)22-10-15(4,21)16(17,18)19;1-5-13(2,3)12(19)21-11-8-6-10(7-9-11)14(4,20)15(16,17)18/h6-11,25H,5,12H2,1-4H3;8-11,25H,7H2,1-6H3;23-24H,9-12H2,1-8H3;6-9,23H,5,10H2,1-4H3;6-9,21H,5,10H2,1-4H3;6-9,20H,5H2,1-4H3.

What are the key properties of [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate?

[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate has a molecular weight of 2166.25 g/mol, XLogP of 21.77, 38 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)benzoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)naphthalen-2-yl] 2,2-dimethylbutanoate;[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl] 2,2-dimethylbutanoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 4-(2,2-dimethylbutanoyloxy)benzoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158258170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).