[2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)

C101H164F10O31 — CID 160566227

About [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)

[2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate) (PubChem CID 160566227) has the molecular formula C101H164F10O31 and a molecular weight of 2064.37 g/mol. Its IUPAC name is [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate).

Molecular Properties

• Compound Name: [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)
• PubChem CID: 160566227
• Molecular Formula: C101H164F10O31
• Molecular Weight: 2064.37 g/mol
• Exact Mass: 2063.11
• IUPAC Name: [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C(C)(C)OC(=O)CC(C)C.CCC(C)(C)C(=O)OC(CC(C)C)C(F)(F)C(C)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)O.CCC(C)(C)C(=O)OCC(C)(COC(=O)C(C)(C)O)COC(=O)C(C)(C)O
• InChI: InChI=1S/C19H34O8.2C18H23F3O6.C17H32O4.C15H28O5.C14H24F4O2/c1-9-16(2,3)13(20)25-10-19(8,11-26-14(21)17(4,5)23)12-27-15(22)18(6,7)24;2*1-5-17(3,4)16(24)27-13-9-6-8-11(15(23)26-12(8)13)10(9)14(22)25-7(2)18(19,20)21;1-10-15(4,5)14(19)21-17(8,9)16(6,7)20-13(18)11-12(2)3;1-8-14(4,5)11(16)19-9-13(2,3)10-20-12(17)15(6,7)18;1-7-12(4,5)11(19)20-10(8-9(2)3)14(17,18)13(6,15)16/h23-24H,9-12H2,1-8H3;2*7-13H,5-6H2,1-4H3;12H,10-11H2,1-9H3;18H,8-10H2,1-7H3;9-10H,7-8H2,1-6H3
• InChIKey: QZYOLBGPSCVKRP-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 428.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.37
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)?

The IUPAC name of [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate) (CID 160566227) is [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate).

What is the SMILES notation for [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)?

The canonical SMILES for [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate) is CCC(C)(C)C(=O)OC(C)(C)C(C)(C)OC(=O)CC(C)C.CCC(C)(C)C(=O)OC(CC(C)C)C(F)(F)C(C)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)O.CCC(C)(C)C(=O)OCC(C)(COC(=O)C(C)(C)O)COC(=O)C(C)(C)O.

What is the InChIKey of [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)?

The InChIKey is QZYOLBGPSCVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O8.2C18H23F3O6.C17H32O4.C15H28O5.C14H24F4O2/c1-9-16(2,3)13(20)25-10-19(8,11-26-14(21)17(4,5)23)12-27-15(22)18(6,7)24;2*1-5-17(3,4)16(24)27-13-9-6-8-11(15(23)26-12(8)13)10(9)14(22)25-7(2)18(19,20)21;1-10-15(4,5)14(19)21-17(8,9)16(6,7)20-13(18)11-12(2)3;1-8-14(4,5)11(16)19-9-13(2,3)10-20-12(17)15(6,7)18;1-7-12(4,5)11(19)20-10(8-9(2)3)14(17,18)13(6,15)16/h23-24H,9-12H2,1-8H3;2*7-13H,5-6H2,1-4H3;12H,10-11H2,1-9H3;18H,8-10H2,1-7H3;9-10H,7-8H2,1-6H3.

What are the key properties of [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate)?

[2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate) has a molecular weight of 2064.37 g/mol, XLogP of 17.96, 41 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3-dimethyl-3-(3-methylbutanoyloxy)butan-2-yl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2,2-dimethylpropyl] 2,2-dimethylbutanoate;[3-(2-hydroxy-2-methylpropanoyl)oxy-2-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2,2-dimethylbutanoate;(2,2,3,3-tetrafluoro-6-methylheptan-4-yl) 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate) is sourced from PubChem (CID 160566227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).