ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate

C30H42O4Si — CID 71608959

About ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate

ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate (PubChem CID 71608959) has the molecular formula C30H42O4Si and a molecular weight of 494.75 g/mol. Its IUPAC name is ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate.

Molecular Properties

• Compound Name: ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate
• PubChem CID: 71608959
• Molecular Formula: C30H42O4Si
• Molecular Weight: 494.75 g/mol
• Exact Mass: 494.29
• IUPAC Name: ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate
• SMILES: CCOC(=O)/C(C)=C/C=C/C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
• InChI: InChI=1S/C30H42O4Si/c1-7-33-29(31)25(2)17-14-15-18-26(32-6)19-16-24-34-35(30(3,4)5,27-20-10-8-11-21-27)28-22-12-9-13-23-28/h8-15,17,20-23,26H,7,16,18-19,24H2,1-6H3/b15-14+,25-17+/t26-/m1/s1
• InChIKey: CQDCLVQJRDIPLG-ZYEOQJMFSA-N
• XLogP: 5.81
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.75
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate?

The IUPAC name of ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate (CID 71608959) is ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate.

What is the SMILES notation for ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate?

The canonical SMILES for ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate is CCOC(=O)/C(C)=C/C=C/C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.

What is the InChIKey of ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate?

The InChIKey is CQDCLVQJRDIPLG-ZYEOQJMFSA-N. The full InChI is InChI=1S/C30H42O4Si/c1-7-33-29(31)25(2)17-14-15-18-26(32-6)19-16-24-34-35(30(3,4)5,27-20-10-8-11-21-27)28-22-12-9-13-23-28/h8-15,17,20-23,26H,7,16,18-19,24H2,1-6H3/b15-14+,25-17+/t26-/m1/s1.

What are the key properties of ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate?

ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate has a molecular weight of 494.75 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4E,7S)-10-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-2-methyldeca-2,4-dienoate is sourced from PubChem (CID 71608959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).