[(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane

C19H37BO3Si — CID 135061707

About [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane

[(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane (PubChem CID 135061707) has the molecular formula C19H37BO3Si and a molecular weight of 352.40 g/mol. Its IUPAC name is [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane.

Molecular Properties

• Compound Name: [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
• PubChem CID: 135061707
• Molecular Formula: C19H37BO3Si
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.26
• IUPAC Name: [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane
• SMILES: CC(C)O[Si](C)(C)/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCCC1
• InChI: InChI=1S/C19H37BO3Si/c1-15(2)21-24(7,8)17(16-12-10-9-11-13-16)14-20-22-18(3,4)19(5,6)23-20/h14-16H,9-13H2,1-8H3/b17-14+
• InChIKey: UGWCVSYZCZLPNQ-SAPNQHFASA-N
• XLogP: 5.29
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	5.29
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 [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane?

The IUPAC name of [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane (CID 135061707) is [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane.

What is the SMILES notation for [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane?

The canonical SMILES for [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane is CC(C)O[Si](C)(C)/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCCC1.

What is the InChIKey of [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane?

The InChIKey is UGWCVSYZCZLPNQ-SAPNQHFASA-N. The full InChI is InChI=1S/C19H37BO3Si/c1-15(2)21-24(7,8)17(16-12-10-9-11-13-16)14-20-22-18(3,4)19(5,6)23-20/h14-16H,9-13H2,1-8H3/b17-14+.

What are the key properties of [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane?

[(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane has a molecular weight of 352.40 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-1-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-propan-2-yloxysilane is sourced from PubChem (CID 135061707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).