[(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane

C23H46B2O5Si — CID 16750756

About [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane

[(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane (PubChem CID 16750756) has the molecular formula C23H46B2O5Si and a molecular weight of 452.33 g/mol. Its IUPAC name is [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 16750756
• Molecular Formula: C23H46B2O5Si
• Molecular Weight: 452.33 g/mol
• Exact Mass: 452.33
• IUPAC Name: [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane
• SMILES: C=C(B1OC(C)(C)C(C)(C)O1)[C@@H](CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C23H46B2O5Si/c1-17(24-27-20(5,6)21(7,8)28-24)18(15-16-26-31(13,14)19(2,3)4)25-29-22(9,10)23(11,12)30-25/h18H,1,15-16H2,2-14H3/t18-/m1/s1
• InChIKey: ZSOVHQFSZPTXAP-GOSISDBHSA-N
• XLogP: 6.05
• 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	452.33
LogP ≤ 5	6.05
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 [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane (CID 16750756) is [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane is C=C(B1OC(C)(C)C(C)(C)O1)[C@@H](CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane?

The InChIKey is ZSOVHQFSZPTXAP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H46B2O5Si/c1-17(24-27-20(5,6)21(7,8)28-24)18(15-16-26-31(13,14)19(2,3)4)25-29-22(9,10)23(11,12)30-25/h18H,1,15-16H2,2-14H3/t18-/m1/s1.

What are the key properties of [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane?

[(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 452.33 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 16750756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).