[(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate

C31H44O3Si — CID 10767465

About [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate

[(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate (PubChem CID 10767465) has the molecular formula C31H44O3Si and a molecular weight of 492.78 g/mol. Its IUPAC name is [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate.

Molecular Properties

• Compound Name: [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate
• PubChem CID: 10767465
• Molecular Formula: C31H44O3Si
• Molecular Weight: 492.78 g/mol
• Exact Mass: 492.31
• IUPAC Name: [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate
• SMILES: CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C31H44O3Si/c1-25(21-23-33-28(4)32)15-14-16-26(2)27(3)22-24-34-35(31(5,6)7,29-17-10-8-11-18-29)30-19-12-9-13-20-30/h8-13,16-21,27H,14-15,22-24H2,1-7H3/b25-21+,26-16+/t27-/m1/s1
• InChIKey: MGPKXBSGOCVGIU-RPBJFFLVSA-N
• XLogP: 6.83
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.78
LogP ≤ 5	6.83
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'}

Frequently Asked Questions

What is the IUPAC name of [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate?

The IUPAC name of [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate (CID 10767465) is [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate.

What is the SMILES notation for [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate?

The canonical SMILES for [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate is CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate?

The InChIKey is MGPKXBSGOCVGIU-RPBJFFLVSA-N. The full InChI is InChI=1S/C31H44O3Si/c1-25(21-23-33-28(4)32)15-14-16-26(2)27(3)22-24-34-35(31(5,6)7,29-17-10-8-11-18-29)30-19-12-9-13-20-30/h8-13,16-21,27H,14-15,22-24H2,1-7H3/b25-21+,26-16+/t27-/m1/s1.

What are the key properties of [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate?

[(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate has a molecular weight of 492.78 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate is sourced from PubChem (CID 10767465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).