ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate

C25H42O6Si — CID 177448197

About ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate

ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate (PubChem CID 177448197) has the molecular formula C25H42O6Si and a molecular weight of 466.69 g/mol. Its IUPAC name is ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate.

Molecular Properties

• Compound Name: ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate
• PubChem CID: 177448197
• Molecular Formula: C25H42O6Si
• Molecular Weight: 466.69 g/mol
• Exact Mass: 466.28
• IUPAC Name: ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate
• SMILES: CCOC(=O)/C=C/CCCC/C=C1/OC(C)(C)OC(=O)/C1=C\C(C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H42O6Si/c1-10-28-22(26)17-15-13-11-12-14-16-21-20(23(27)30-25(6,7)29-21)18-19(2)31-32(8,9)24(3,4)5/h15-19H,10-14H2,1-9H3/b17-15+,20-18-,21-16+
• InChIKey: RCVDTHBHKSLUIO-GCVJCHLXSA-N
• XLogP: 6.20
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.69
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate?

The IUPAC name of ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate (CID 177448197) is ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate.

What is the SMILES notation for ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate?

The canonical SMILES for ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate is CCOC(=O)/C=C/CCCC/C=C1/OC(C)(C)OC(=O)/C1=C\C(C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate?

The InChIKey is RCVDTHBHKSLUIO-GCVJCHLXSA-N. The full InChI is InChI=1S/C25H42O6Si/c1-10-28-22(26)17-15-13-11-12-14-16-21-20(23(27)30-25(6,7)29-21)18-19(2)31-32(8,9)24(3,4)5/h15-19H,10-14H2,1-9H3/b17-15+,20-18-,21-16+.

What are the key properties of ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate?

ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate has a molecular weight of 466.69 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (E,8E)-8-[(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxypropylidene]-2,2-dimethyl-6-oxo-1,3-dioxan-4-ylidene]oct-2-enoate is sourced from PubChem (CID 177448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).