methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate

C23H38BNO4Si — CID 102364797

About methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate

methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate (PubChem CID 102364797) has the molecular formula C23H38BNO4Si and a molecular weight of 431.46 g/mol. Its IUPAC name is methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate.

Molecular Properties

• Compound Name: methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate
• PubChem CID: 102364797
• Molecular Formula: C23H38BNO4Si
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.27
• IUPAC Name: methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate
• SMILES: COC(=O)C(/C=C(\C[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1
• InChI: InChI=1S/C23H38BNO4Si/c1-22(2)23(3,4)29-24(28-22)19(17-30(7,8)9)15-20(21(26)27-6)25(5)16-18-13-11-10-12-14-18/h10-15,20H,16-17H2,1-9H3/b19-15+
• InChIKey: ITTYKCBEMTZICS-XDJHFCHBSA-N
• XLogP: 4.56
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate?

The IUPAC name of methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate (CID 102364797) is methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate.

What is the SMILES notation for methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate?

The canonical SMILES for methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate is COC(=O)C(/C=C(\C[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1.

What is the InChIKey of methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate?

The InChIKey is ITTYKCBEMTZICS-XDJHFCHBSA-N. The full InChI is InChI=1S/C23H38BNO4Si/c1-22(2)23(3,4)29-24(28-22)19(17-30(7,8)9)15-20(21(26)27-6)25(5)16-18-13-11-10-12-14-18/h10-15,20H,16-17H2,1-9H3/b19-15+.

What are the key properties of methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate?

methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate has a molecular weight of 431.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (Z)-2-[benzyl(methyl)amino]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trimethylsilylpent-3-enoate is sourced from PubChem (CID 102364797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).