2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate

C24H46O5Si2 — CID 102324239

About 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate

2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate (PubChem CID 102324239) has the molecular formula C24H46O5Si2 and a molecular weight of 470.80 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate
• PubChem CID: 102324239
• Molecular Formula: C24H46O5Si2
• Molecular Weight: 470.80 g/mol
• Exact Mass: 470.29
• IUPAC Name: 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate
• SMILES: CO[C@@H](/C=C/CC/C=C/C(=O)OCC[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
• InChI: InChI=1S/C24H46O5Si2/c1-20(19-25)23(29-31(9,10)24(2,3)4)21(27-5)15-13-11-12-14-16-22(26)28-17-18-30(6,7)8/h13-16,19-21,23H,11-12,17-18H2,1-10H3/b15-13+,16-14+/t20-,21+,23+/m1/s1
• InChIKey: FTVZZFAURWIZEP-XDNFVNQISA-N
• XLogP: 6.00
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.80
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate?

The IUPAC name of 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate (CID 102324239) is 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate.

What is the SMILES notation for 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate?

The canonical SMILES for 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate is CO[C@@H](/C=C/CC/C=C/C(=O)OCC[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.

What is the InChIKey of 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate?

The InChIKey is FTVZZFAURWIZEP-XDNFVNQISA-N. The full InChI is InChI=1S/C24H46O5Si2/c1-20(19-25)23(29-31(9,10)24(2,3)4)21(27-5)15-13-11-12-14-16-22(26)28-17-18-30(6,7)8/h13-16,19-21,23H,11-12,17-18H2,1-10H3/b15-13+,16-14+/t20-,21+,23+/m1/s1.

What are the key properties of 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate?

2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate has a molecular weight of 470.80 g/mol, XLogP of 6.00, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (2E,6E,8S,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-10-methyl-11-oxoundeca-2,6-dienoate is sourced from PubChem (CID 102324239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).