tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

C23H48B2O5Si — CID 138984257

About tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (PubChem CID 138984257) has the molecular formula C23H48B2O5Si and a molecular weight of 454.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
• PubChem CID: 138984257
• Molecular Formula: C23H48B2O5Si
• Molecular Weight: 454.34 g/mol
• Exact Mass: 454.35
• IUPAC Name: tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
• SMILES: C[C@@H](CCO[Si](C)(C)C(C)(C)C)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C23H48B2O5Si/c1-17(15-16-26-31(13,14)19(2,3)4)18(24-27-20(5,6)21(7,8)28-24)25-29-22(9,10)23(11,12)30-25/h17-18H,15-16H2,1-14H3/t17-/m0/s1
• InChIKey: SKBHHMAYOAFSKC-KRWDZBQOSA-N
• XLogP: 6.13
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.34
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (CID 138984257) is tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is C[C@@H](CCO[Si](C)(C)C(C)(C)C)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The InChIKey is SKBHHMAYOAFSKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H48B2O5Si/c1-17(15-16-26-31(13,14)19(2,3)4)18(24-27-20(5,6)21(7,8)28-24)25-29-22(9,10)23(11,12)30-25/h17-18H,15-16H2,1-14H3/t17-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane has a molecular weight of 454.34 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is sourced from PubChem (CID 138984257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).