methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

C23H34O6Si — CID 10765290

About methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate (PubChem CID 10765290) has the molecular formula C23H34O6Si and a molecular weight of 434.61 g/mol. Its IUPAC name is methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate.

Molecular Properties

• Compound Name: methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
• PubChem CID: 10765290
• Molecular Formula: C23H34O6Si
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.21
• IUPAC Name: methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
• SMILES: COC(=O)CC/C(C)=C/Cc1c(OC)cc2c(c1O[Si](C)(C)C(C)(C)C)C(=O)OC2
• InChI: InChI=1S/C23H34O6Si/c1-15(10-12-19(24)27-6)9-11-17-18(26-5)13-16-14-28-22(25)20(16)21(17)29-30(7,8)23(2,3)4/h9,13H,10-12,14H2,1-8H3/b15-9+
• InChIKey: DHNNXXPSPJPPCD-OQLLNIDSSA-N
• XLogP: 5.19
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate?

The IUPAC name of methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate (CID 10765290) is methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate.

What is the SMILES notation for methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate?

The canonical SMILES for methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate is COC(=O)CC/C(C)=C/Cc1c(OC)cc2c(c1O[Si](C)(C)C(C)(C)C)C(=O)OC2.

What is the InChIKey of methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate?

The InChIKey is DHNNXXPSPJPPCD-OQLLNIDSSA-N. The full InChI is InChI=1S/C23H34O6Si/c1-15(10-12-19(24)27-6)9-11-17-18(26-5)13-16-14-28-22(25)20(16)21(17)29-30(7,8)23(2,3)4/h9,13H,10-12,14H2,1-8H3/b15-9+.

What are the key properties of methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate?

methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate has a molecular weight of 434.61 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate is sourced from PubChem (CID 10765290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).