tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane

C19H32BClO3Si — CID 135022527

About tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane (PubChem CID 135022527) has the molecular formula C19H32BClO3Si and a molecular weight of 382.81 g/mol. Its IUPAC name is tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
• PubChem CID: 135022527
• Molecular Formula: C19H32BClO3Si
• Molecular Weight: 382.81 g/mol
• Exact Mass: 382.19
• IUPAC Name: tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
• SMILES: CC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2Cl)OC1(C)C
• InChI: InChI=1S/C19H32BClO3Si/c1-17(2,3)25(8,9)22-13-14-10-11-15(16(21)12-14)20-23-18(4,5)19(6,7)24-20/h10-12H,13H2,1-9H3
• InChIKey: VOYRHZVLPHCKPG-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.81
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane (CID 135022527) is tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane is CC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2Cl)OC1(C)C.

What is the InChIKey of tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?

The InChIKey is VOYRHZVLPHCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BClO3Si/c1-17(2,3)25(8,9)22-13-14-10-11-15(16(21)12-14)20-23-18(4,5)19(6,7)24-20/h10-12H,13H2,1-9H3.

What are the key properties of tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?

tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane has a molecular weight of 382.81 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 135022527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).