tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane

C19H37BO3Si — CID 164668677

About tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane (PubChem CID 164668677) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane
• PubChem CID: 164668677
• Molecular Formula: C19H37BO3Si
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.26
• IUPAC Name: tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane
• SMILES: CC1(C)OB([C@@H]2CCCC=C2CO[Si](C)(C)C(C)(C)C)OC1(C)C
• InChI: InChI=1S/C19H37BO3Si/c1-17(2,3)24(8,9)21-14-15-12-10-11-13-16(15)20-22-18(4,5)19(6,7)23-20/h12,16H,10-11,13-14H2,1-9H3/t16-/m1/s1
• InChIKey: VZMBITOJUQJQIC-MRXNPFEDSA-N
• XLogP: 5.58
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	5.58
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-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane (CID 164668677) is tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane is CC1(C)OB([C@@H]2CCCC=C2CO[Si](C)(C)C(C)(C)C)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane?

The InChIKey is VZMBITOJUQJQIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-17(2,3)24(8,9)21-14-15-12-10-11-13-16(15)20-22-18(4,5)19(6,7)23-20/h12,16H,10-11,13-14H2,1-9H3/t16-/m1/s1.

What are the key properties of tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane?

tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane has a molecular weight of 352.40 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexen-1-yl]methoxy]silane is sourced from PubChem (CID 164668677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).