butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C78H132B4F6O26S2 — CID 158249890

About butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158249890) has the molecular formula C78H132B4F6O26S2 and a molecular weight of 1707.26 g/mol. Its IUPAC name is butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158249890
• Molecular Formula: C78H132B4F6O26S2
• Molecular Weight: 1707.26 g/mol
• Exact Mass: 1706.87
• IUPAC Name: butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCCOC(=O)C1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)O1.CCCCOC(=O)C1(C)C=C(OS(=O)(=O)C(F)(F)F)CC(C)(C)O1.CCCCOC(=O)C1(C)CC(B2OC(C)(C)C(C)(C)O2)=CC(C)(C)O1.CCCCOC(=O)C1(C)CC(OS(=O)(=O)C(F)(F)F)=CC(C)(C)O1
• InChI: InChI=1S/2C19H33BO5.2C14H21F3O6S.C12H24B2O4/c2*1-9-10-11-22-15(21)19(8)13-14(12-16(2,3)23-19)20-24-17(4,5)18(6,7)25-20;2*1-5-6-7-21-11(18)13(4)9-10(8-12(2,3)23-13)22-24(19,20)14(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h13H,9-12H2,1-8H3;12H,9-11,13H2,1-8H3;9H,5-8H2,1-4H3;8H,5-7,9H2,1-4H3;1-8H3
• InChIKey: GGOVTWNTXKUEPO-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 302.70 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1707.26
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158249890) is butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCCOC(=O)C1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)O1.CCCCOC(=O)C1(C)C=C(OS(=O)(=O)C(F)(F)F)CC(C)(C)O1.CCCCOC(=O)C1(C)CC(B2OC(C)(C)C(C)(C)O2)=CC(C)(C)O1.CCCCOC(=O)C1(C)CC(OS(=O)(=O)C(F)(F)F)=CC(C)(C)O1.

What is the InChIKey of butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GGOVTWNTXKUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H33BO5.2C14H21F3O6S.C12H24B2O4/c2*1-9-10-11-22-15(21)19(8)13-14(12-16(2,3)23-19)20-24-17(4,5)18(6,7)25-20;2*1-5-6-7-21-11(18)13(4)9-10(8-12(2,3)23-13)22-24(19,20)14(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h13H,9-12H2,1-8H3;12H,9-11,13H2,1-8H3;9H,5-8H2,1-4H3;8H,5-7,9H2,1-4H3;1-8H3.

What are the key properties of butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1707.26 g/mol, XLogP of 16.01, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 2,2,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyran-2-carboxylate;butyl 2,2,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-6-carboxylate;butyl 2,6,6-trimethyl-4-(trifluoromethylsulfonyloxy)-3H-pyran-2-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158249890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).