(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione

C24H30O4Si — CID 59028477

About (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione

(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione (PubChem CID 59028477) has the molecular formula C24H30O4Si and a molecular weight of 410.59 g/mol. Its IUPAC name is (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione.

Molecular Properties

• Compound Name: (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione
• PubChem CID: 59028477
• Molecular Formula: C24H30O4Si
• Molecular Weight: 410.59 g/mol
• Exact Mass: 410.19
• IUPAC Name: (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione
• SMILES: COc1cc(/C=C/C(=O)CC(=O)c2ccccc2)ccc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H30O4Si/c1-24(2,3)29(5,6)28-22-15-13-18(16-23(22)27-4)12-14-20(25)17-21(26)19-10-8-7-9-11-19/h7-16H,17H2,1-6H3/b14-12+
• InChIKey: JENDVUWFJKGHFL-WYMLVPIESA-N
• XLogP: 5.93
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.59
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione?

The IUPAC name of (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione (CID 59028477) is (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione.

What is the SMILES notation for (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione?

The canonical SMILES for (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione is COc1cc(/C=C/C(=O)CC(=O)c2ccccc2)ccc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione?

The InChIKey is JENDVUWFJKGHFL-WYMLVPIESA-N. The full InChI is InChI=1S/C24H30O4Si/c1-24(2,3)29(5,6)28-22-15-13-18(16-23(22)27-4)12-14-20(25)17-21(26)19-10-8-7-9-11-19/h7-16H,17H2,1-6H3/b14-12+.

What are the key properties of (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione?

(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione has a molecular weight of 410.59 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione is sourced from PubChem (CID 59028477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).