dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane

C27H39BO2Si — CID 11259077

About dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane

dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane (PubChem CID 11259077) has the molecular formula C27H39BO2Si and a molecular weight of 434.51 g/mol. Its IUPAC name is dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane.

Molecular Properties

• Compound Name: dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane
• PubChem CID: 11259077
• Molecular Formula: C27H39BO2Si
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.28
• IUPAC Name: dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane
• SMILES: C/C(=C\CCCB1OC(C)(C)C(C)(C)O1)C(c1ccccc1)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C27H39BO2Si/c1-22(16-14-15-21-28-29-26(2,3)27(4,5)30-28)25(23-17-10-8-11-18-23)31(6,7)24-19-12-9-13-20-24/h8-13,16-20,25H,14-15,21H2,1-7H3/b22-16+
• InChIKey: TVGSGFZDNAANJD-CJLVFECKSA-N
• XLogP: 6.74
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane?

The IUPAC name of dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane (CID 11259077) is dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane.

What is the SMILES notation for dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane?

The canonical SMILES for dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane is C/C(=C\CCCB1OC(C)(C)C(C)(C)O1)C(c1ccccc1)[Si](C)(C)c1ccccc1.

What is the InChIKey of dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane?

The InChIKey is TVGSGFZDNAANJD-CJLVFECKSA-N. The full InChI is InChI=1S/C27H39BO2Si/c1-22(16-14-15-21-28-29-26(2,3)27(4,5)30-28)25(23-17-10-8-11-18-23)31(6,7)24-19-12-9-13-20-24/h8-13,16-20,25H,14-15,21H2,1-7H3/b22-16+.

What are the key properties of dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane?

dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane has a molecular weight of 434.51 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane is sourced from PubChem (CID 11259077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).