5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane

C45H96B6O12 — CID 159509619

About 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 159509619) has the molecular formula C45H96B6O12 and a molecular weight of 894.12 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
• PubChem CID: 159509619
• Molecular Formula: C45H96B6O12
• Molecular Weight: 894.12 g/mol
• Exact Mass: 894.75
• IUPAC Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
• SMILES: CB1OC(C)(C)C(C)(C)O1.CC(C)B1OC(C)(C)CC(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC(C)B1OCCCO1.CC(C)B1OCCO1.CC1CC(C)(C)OB(C(C)C)O1
• InChI: InChI=1S/C10H21BO2.C9H19BO2.C8H17BO2.C7H15BO2.C6H13BO2.C5H11BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11;1-7(2)10-11-8(3)6-9(4,5)12-10;1-7(2)9-10-5-8(3,4)6-11-9;1-6(2)7(3,4)10-8(5)9-6;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h8H,7H2,1-6H3;7-8H,6H2,1-5H3;7H,5-6H2,1-4H3;1-5H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
• InChIKey: MAKWWZUJEPRZIW-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	894.12
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?

The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 159509619) is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?

The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is CB1OC(C)(C)C(C)(C)O1.CC(C)B1OC(C)(C)CC(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC(C)B1OCCCO1.CC(C)B1OCCO1.CC1CC(C)(C)OB(C(C)C)O1.

What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?

The InChIKey is MAKWWZUJEPRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2.C9H19BO2.C8H17BO2.C7H15BO2.C6H13BO2.C5H11BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11;1-7(2)10-11-8(3)6-9(4,5)12-10;1-7(2)9-10-5-8(3,4)6-11-9;1-6(2)7(3,4)10-8(5)9-6;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h8H,7H2,1-6H3;7-8H,6H2,1-5H3;7H,5-6H2,1-4H3;1-5H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.

What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 894.12 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborolane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 159509619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).