2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane

C141H303B7O14 — CID 162129447

About 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane

2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane (PubChem CID 162129447) has the molecular formula C141H303B7O14 and a molecular weight of 2298.64 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane.

Molecular Properties

• Compound Name: 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
• PubChem CID: 162129447
• Molecular Formula: C141H303B7O14
• Molecular Weight: 2298.64 g/mol
• Exact Mass: 2298.36
• IUPAC Name: 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
• SMILES: CC(C(C)C(C)(C)C)C(C)(C)C.CC(C)(C)B1OC(C)(C)C(C)(C)O1.CC(C)(C)B1OCCCO1.CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)CC(C)(C)CC(C)(C)C.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)B1OCCO1.CC(CC(C)(C)C(C)(C)C)C(C)(C)C.CC(CC(C)(C)C)C(C)(C)C.CC1(C)COB(C(C)(C)C)OC1.CC1CC(C)(C)OB(C(C)(C)C)O1.CC1COB(C(C)(C)C)O1.CC1OB(C(C)(C)C)OC1C
• InChI: InChI=1S/2C14H30.C13H28.C12H26.2C11H24.2C10H21BO2.C10H22.C9H19BO2.C8H17BO2.2C7H15BO2.C5H11BO2/c1-11(12(2,3)4)10-14(8,9)13(5,6)7;1-11(2,3)13(7,8)14(9,10)12(4,5)6;1-11(2,3)9-13(7,8)10-12(4,5)6;1-9(11(3,4)5)10(2)12(6,7)8;1-9(11(5,6)7)8-10(2,3)4;1-10(2,3)8-7-9-11(4,5)6;1-8-7-10(5,6)13-11(12-8)9(2,3)4;1-8(2,3)11-12-9(4,5)10(6,7)13-11;1-9(2,3)7-8-10(4,5)6;1-8(2,3)10-11-6-9(4,5)7-12-10;1-6-7(2)11-9(10-6)8(3,4)5;1-6-5-9-8(10-6)7(2,3)4;1-7(2,3)8-9-5-4-6-10-8;1-5(2)6-7-3-4-8-6/h11H,10H2,1-9H3;1-10H3;9-10H2,1-8H3;9-10H,1-8H3;9H,8H2,1-7H3;7-9H2,1-6H3;8H,7H2,1-6H3;1-7H3;7-8H2,1-6H3;6-7H2,1-5H3;6-7H,1-5H3;6H,5H2,1-4H3;4-6H2,1-3H3;5H,3-4H2,1-2H3
• InChIKey: ZILXDLAVIOXDBM-UHFFFAOYSA-N
• XLogP: 46.27
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.64
LogP ≤ 5	46.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?

The IUPAC name of 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane (CID 162129447) is 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane.

What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?

The canonical SMILES for 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane is CC(C(C)C(C)(C)C)C(C)(C)C.CC(C)(C)B1OC(C)(C)C(C)(C)O1.CC(C)(C)B1OCCCO1.CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)CC(C)(C)CC(C)(C)C.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)B1OCCO1.CC(CC(C)(C)C(C)(C)C)C(C)(C)C.CC(CC(C)(C)C)C(C)(C)C.CC1(C)COB(C(C)(C)C)OC1.CC1CC(C)(C)OB(C(C)(C)C)O1.CC1COB(C(C)(C)C)O1.CC1OB(C(C)(C)C)OC1C.

What is the InChIKey of 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?

The InChIKey is ZILXDLAVIOXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H30.C13H28.C12H26.2C11H24.2C10H21BO2.C10H22.C9H19BO2.C8H17BO2.2C7H15BO2.C5H11BO2/c1-11(12(2,3)4)10-14(8,9)13(5,6)7;1-11(2,3)13(7,8)14(9,10)12(4,5)6;1-11(2,3)9-13(7,8)10-12(4,5)6;1-9(11(3,4)5)10(2)12(6,7)8;1-9(11(5,6)7)8-10(2,3)4;1-10(2,3)8-7-9-11(4,5)6;1-8-7-10(5,6)13-11(12-8)9(2,3)4;1-8(2,3)11-12-9(4,5)10(6,7)13-11;1-9(2,3)7-8-10(4,5)6;1-8(2,3)10-11-6-9(4,5)7-12-10;1-6-7(2)11-9(10-6)8(3,4)5;1-6-5-9-8(10-6)7(2,3)4;1-7(2,3)8-9-5-4-6-10-8;1-5(2)6-7-3-4-8-6/h11H,10H2,1-9H3;1-10H3;9-10H2,1-8H3;9-10H,1-8H3;9H,8H2,1-7H3;7-9H2,1-6H3;8H,7H2,1-6H3;1-7H3;7-8H2,1-6H3;6-7H2,1-5H3;6-7H,1-5H3;6H,5H2,1-4H3;4-6H2,1-3H3;5H,3-4H2,1-2H3.

What are the key properties of 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane?

2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane has a molecular weight of 2298.64 g/mol, XLogP of 46.27, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-4,5-dimethyl-1,3,2-dioxaborolane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,6-trimethyl-1,3,2-dioxaborinane;2,2,3,3,5,6,6-heptamethylheptane;2,2,4,4,6,6-hexamethylheptane;2,2,3,4,5,5-hexamethylhexane;2,2,3,3,4,4,5,5-octamethylhexane;2,2,3,5,5-pentamethylhexane;2-propan-2-yl-1,3,2-dioxaborolane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane is sourced from PubChem (CID 162129447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).