[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate

C25H40O5Si — CID 11282328

About [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate (PubChem CID 11282328) has the molecular formula C25H40O5Si and a molecular weight of 448.68 g/mol. Its IUPAC name is [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate.

Molecular Properties

• Compound Name: [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate
• PubChem CID: 11282328
• Molecular Formula: C25H40O5Si
• Molecular Weight: 448.68 g/mol
• Exact Mass: 448.26
• IUPAC Name: [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate
• SMILES: CC(=O)OC/C(=C\CO[Si](C)(C)C(C)(C)C)C(C/C=C(\C)C#CC=C(C)C)OC(C)=O
• InChI: InChI=1S/C25H40O5Si/c1-19(2)12-11-13-20(3)14-15-24(30-22(5)27)23(18-28-21(4)26)16-17-29-31(9,10)25(6,7)8/h12,14,16,24H,15,17-18H2,1-10H3/b20-14+,23-16+
• InChIKey: QCYGLLIHTAQCMO-JOJMNHRDSA-N
• XLogP: 5.74
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.68
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate?

The IUPAC name of [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate (CID 11282328) is [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate.

What is the SMILES notation for [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate?

The canonical SMILES for [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate is CC(=O)OC/C(=C\CO[Si](C)(C)C(C)(C)C)C(C/C=C(\C)C#CC=C(C)C)OC(C)=O.

What is the InChIKey of [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate?

The InChIKey is QCYGLLIHTAQCMO-JOJMNHRDSA-N. The full InChI is InChI=1S/C25H40O5Si/c1-19(2)12-11-13-20(3)14-15-24(30-22(5)27)23(18-28-21(4)26)16-17-29-31(9,10)25(6,7)8/h12,14,16,24H,15,17-18H2,1-10H3/b20-14+,23-16+.

What are the key properties of [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate?

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate has a molecular weight of 448.68 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dien-7-ynyl] acetate is sourced from PubChem (CID 11282328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).