ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate

C24H46O5Si — CID 10599344

About ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate

ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate (PubChem CID 10599344) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

• Compound Name: ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate
• PubChem CID: 10599344
• Molecular Formula: C24H46O5Si
• Molecular Weight: 442.71 g/mol
• Exact Mass: 442.31
• IUPAC Name: ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate
• SMILES: CCOC(=O)CC(/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)OC(C)OCC
• InChI: InChI=1S/C24H46O5Si/c1-11-26-21(5)29-22(17-23(25)27-12-2)16-19(3)14-13-15-20(4)18-28-30(9,10)24(6,7)8/h15-16,21-22H,11-14,17-18H2,1-10H3/b19-16+,20-15+
• InChIKey: YRGWCQHQMUURNL-RHBFVARBSA-N
• XLogP: 6.40
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.71
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate?

The IUPAC name of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate (CID 10599344) is ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate.

What is the SMILES notation for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate?

The canonical SMILES for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate is CCOC(=O)CC(/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)OC(C)OCC.

What is the InChIKey of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate?

The InChIKey is YRGWCQHQMUURNL-RHBFVARBSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-11-26-21(5)29-22(17-23(25)27-12-2)16-19(3)14-13-15-20(4)18-28-30(9,10)24(6,7)8/h15-16,21-22H,11-14,17-18H2,1-10H3/b19-16+,20-15+.

What are the key properties of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate?

ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 442.71 g/mol, XLogP of 6.40, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 10599344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).