tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane

C22H43BO3Si — CID 154712141

About tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane (PubChem CID 154712141) has the molecular formula C22H43BO3Si and a molecular weight of 394.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
• PubChem CID: 154712141
• Molecular Formula: C22H43BO3Si
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.31
• IUPAC Name: tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane
• SMILES: C=CC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H43BO3Si/c1-11-14-18(23-25-21(5,6)22(7,8)26-23)17-15-12-13-16-19(17)24-27(9,10)20(2,3)4/h11,17-19H,1,12-16H2,2-10H3/t17?,18-,19-/m1/s1
• InChIKey: BLRXIEJFSNWJDQ-OMKBGSMGSA-N
• XLogP: 6.61
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane (CID 154712141) is tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane is C=CC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?

The InChIKey is BLRXIEJFSNWJDQ-OMKBGSMGSA-N. The full InChI is InChI=1S/C22H43BO3Si/c1-11-14-18(23-25-21(5,6)22(7,8)26-23)17-15-12-13-16-19(17)24-27(9,10)20(2,3)4/h11,17-19H,1,12-16H2,2-10H3/t17?,18-,19-/m1/s1.

What are the key properties of tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane?

tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane has a molecular weight of 394.48 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(1R)-2-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 154712141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).