ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate

C26H46O5Si — CID 135010178

About ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate

ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate (PubChem CID 135010178) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

• Compound Name: ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate
• PubChem CID: 135010178
• Molecular Formula: C26H46O5Si
• Molecular Weight: 466.74 g/mol
• Exact Mass: 466.31
• IUPAC Name: ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate
• SMILES: CCOC(=O)C(C/C=C(\C)CCC=C(C)C)C(=O)CC(=O)CC(C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H46O5Si/c1-11-30-25(29)23(16-15-20(4)14-12-13-19(2)3)24(28)18-22(27)17-21(5)31-32(9,10)26(6,7)8/h13,15,21,23H,11-12,14,16-18H2,1-10H3/b20-15+
• InChIKey: LAUHXWCPGIIUEB-HMMYKYKNSA-N
• XLogP: 6.58
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.74
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate?

The IUPAC name of ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate (CID 135010178) is ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate.

What is the SMILES notation for ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate?

The canonical SMILES for ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate is CCOC(=O)C(C/C=C(\C)CCC=C(C)C)C(=O)CC(=O)CC(C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate?

The InChIKey is LAUHXWCPGIIUEB-HMMYKYKNSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-11-30-25(29)23(16-15-20(4)14-12-13-19(2)3)24(28)18-22(27)17-21(5)31-32(9,10)26(6,7)8/h13,15,21,23H,11-12,14,16-18H2,1-10H3/b20-15+.

What are the key properties of ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate?

ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 466.74 g/mol, XLogP of 6.58, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 135010178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).