dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane

C19H39BO3Si — CID 101499393

About dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane

dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane (PubChem CID 101499393) has the molecular formula C19H39BO3Si and a molecular weight of 354.42 g/mol. Its IUPAC name is dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane.

Molecular Properties

• Compound Name: dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
• PubChem CID: 101499393
• Molecular Formula: C19H39BO3Si
• Molecular Weight: 354.42 g/mol
• Exact Mass: 354.28
• IUPAC Name: dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
• SMILES: CCCCCC/C(=C/[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H39BO3Si/c1-10-11-12-13-14-17(15-24(8,9)21-16(2)3)20-22-18(4,5)19(6,7)23-20/h15-16H,10-14H2,1-9H3/b17-15-
• InChIKey: YIHAACZJUGJXRX-ICFOKQHNSA-N
• XLogP: 5.68
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.42
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane?

The IUPAC name of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane (CID 101499393) is dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane.

What is the SMILES notation for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane?

The canonical SMILES for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane is CCCCCC/C(=C/[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane?

The InChIKey is YIHAACZJUGJXRX-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H39BO3Si/c1-10-11-12-13-14-17(15-24(8,9)21-16(2)3)20-22-18(4,5)19(6,7)23-20/h15-16H,10-14H2,1-9H3/b17-15-.

What are the key properties of dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane?

dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane has a molecular weight of 354.42 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane is sourced from PubChem (CID 101499393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).