methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate

C30H44O3Si2 — CID 11145634

About methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate

methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate (PubChem CID 11145634) has the molecular formula C30H44O3Si2 and a molecular weight of 508.85 g/mol. Its IUPAC name is methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate.

Molecular Properties

• Compound Name: methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
• PubChem CID: 11145634
• Molecular Formula: C30H44O3Si2
• Molecular Weight: 508.85 g/mol
• Exact Mass: 508.28
• IUPAC Name: methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
• SMILES: COC(=O)/C=C/CC[C@@H](/C=C\CC[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H44O3Si2/c1-30(2,3)35(27-20-10-8-11-21-27,28-22-12-9-13-23-28)33-26(18-14-15-24-29(31)32-4)19-16-17-25-34(5,6)7/h8-13,15-16,19-24,26H,14,17-18,25H2,1-7H3/b19-16-,24-15+/t26-/m0/s1
• InChIKey: XJXYWOFVKAYRBE-BAQTWNNPSA-N
• XLogP: 6.73
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.85
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate?

The IUPAC name of methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate (CID 11145634) is methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate.

What is the SMILES notation for methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate?

The canonical SMILES for methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate is COC(=O)/C=C/CC[C@@H](/C=C\CC[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate?

The InChIKey is XJXYWOFVKAYRBE-BAQTWNNPSA-N. The full InChI is InChI=1S/C30H44O3Si2/c1-30(2,3)35(27-20-10-8-11-21-27,28-22-12-9-13-23-28)33-26(18-14-15-24-29(31)32-4)19-16-17-25-34(5,6)7/h8-13,15-16,19-24,26H,14,17-18,25H2,1-7H3/b19-16-,24-15+/t26-/m0/s1.

What are the key properties of methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate?

methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate has a molecular weight of 508.85 g/mol, XLogP of 6.73, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate is sourced from PubChem (CID 11145634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).