[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate

C26H36O6Si — CID 11305983

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate (PubChem CID 11305983) has the molecular formula C26H36O6Si and a molecular weight of 472.65 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate.

Molecular Properties

• Compound Name: [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate
• PubChem CID: 11305983
• Molecular Formula: C26H36O6Si
• Molecular Weight: 472.65 g/mol
• Exact Mass: 472.23
• IUPAC Name: [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate
• SMILES: C=C=CC(CC1OC(CO[Si](C)(C)C(C)(C)C)(OC(C)=O)C=CC1=O)OCc1ccccc1
• InChI: InChI=1S/C26H36O6Si/c1-8-12-22(29-18-21-13-10-9-11-14-21)17-24-23(28)15-16-26(32-24,31-20(2)27)19-30-33(6,7)25(3,4)5/h9-16,22,24H,1,17-19H2,2-7H3
• InChIKey: DBIOVIMBGCTLBS-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.65
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate?

The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate (CID 11305983) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate.

What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate?

The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate is C=C=CC(CC1OC(CO[Si](C)(C)C(C)(C)C)(OC(C)=O)C=CC1=O)OCc1ccccc1.

What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate?

The InChIKey is DBIOVIMBGCTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O6Si/c1-8-12-22(29-18-21-13-10-9-11-14-21)17-24-23(28)15-16-26(32-24,31-20(2)27)19-30-33(6,7)25(3,4)5/h9-16,22,24H,1,17-19H2,2-7H3.

What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate?

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate has a molecular weight of 472.65 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-6-(2-phenylmethoxypenta-3,4-dienyl)pyran-2-yl] acetate is sourced from PubChem (CID 11305983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).