2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C56H119B7O14 — CID 159325778

About 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159325778) has the molecular formula C56H119B7O14 and a molecular weight of 1092.24 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159325778
• Molecular Formula: C56H119B7O14
• Molecular Weight: 1092.24 g/mol
• Exact Mass: 1092.93
• IUPAC Name: 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(C)(C)B1OC(C)(C)C(C)(C)O1.CC(C)(C)B1OCCCO1.CC(C)(C)B1OCCO1.CC1(C)COB(C(C)(C)C)OC1.CC1CC(C)OB(C(C)(C)C)O1.CC1COB(C(C)(C)C)O1.CC1OB(C(C)(C)C)OC1C
• InChI: InChI=1S/C10H21BO2.2C9H19BO2.C8H17BO2.2C7H15BO2.C6H13BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11;1-8(2,3)10-11-6-9(4,5)7-12-10;1-7-6-8(2)12-10(11-7)9(3,4)5;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;1-6(2,3)7-8-4-5-9-7/h1-7H3;6-7H2,1-5H3;7-8H,6H2,1-5H3;6-7H,1-5H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3
• InChIKey: LEIPQNKPDOQGPW-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.24
LogP ≤ 5	14.56
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-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159325778) is 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)B1OC(C)(C)C(C)(C)O1.CC(C)(C)B1OCCCO1.CC(C)(C)B1OCCO1.CC1(C)COB(C(C)(C)C)OC1.CC1CC(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-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is LEIPQNKPDOQGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2.2C9H19BO2.C8H17BO2.2C7H15BO2.C6H13BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11;1-8(2,3)10-11-6-9(4,5)7-12-10;1-7-6-8(2)12-10(11-7)9(3,4)5;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;1-6(2,3)7-8-4-5-9-7/h1-7H3;6-7H2,1-5H3;7-8H,6H2,1-5H3;6-7H,1-5H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3.

What are the key properties of 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1092.24 g/mol, XLogP of 14.56, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,6-dimethyl-1,3,2-dioxaborinane;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-1,3,2-dioxaborolane;2-tert-butyl-4-methyl-1,3,2-dioxaborolane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159325778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).