6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

C19H32O4Si — CID 11068167

About 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11068167) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

• Compound Name: 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
• PubChem CID: 11068167
• Molecular Formula: C19H32O4Si
• Molecular Weight: 352.55 g/mol
• Exact Mass: 352.21
• IUPAC Name: 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
• SMILES: C/C=C/C=C/C(CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H32O4Si/c1-9-10-11-12-15(23-24(7,8)18(2,3)4)13-16-14-17(20)22-19(5,6)21-16/h9-12,14-15H,13H2,1-8H3/b10-9+,12-11+
• InChIKey: YAYONPMQKRFAFM-HULFFUFUSA-N
• XLogP: 5.09
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?

The IUPAC name of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11068167) is 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.

What is the SMILES notation for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?

The canonical SMILES for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is C/C=C/C=C/C(CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?

The InChIKey is YAYONPMQKRFAFM-HULFFUFUSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-9-10-11-12-15(23-24(7,8)18(2,3)4)13-16-14-17(20)22-19(5,6)21-16/h9-12,14-15H,13H2,1-8H3/b10-9+,12-11+.

What are the key properties of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?

6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 352.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyhepta-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11068167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).