(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one

C23H40O4Si2 — CID 10717809

About (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one

(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one (PubChem CID 10717809) has the molecular formula C23H40O4Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one.

Molecular Properties

• Compound Name: (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one
• PubChem CID: 10717809
• Molecular Formula: C23H40O4Si2
• Molecular Weight: 436.74 g/mol
• Exact Mass: 436.25
• IUPAC Name: (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one
• SMILES: CC(C)(C)[Si](C)(C)OC/C=C1/C=C(/C=C/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1
• InChI: InChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)25-16-13-11-12-14-19-18-20(27-21(19)24)15-17-26-29(9,10)23(4,5)6/h11-15,18H,16-17H2,1-10H3/b13-11+,14-12+,20-15-
• InChIKey: OPXZXWDHUMBOPG-XQWFHAJTSA-N
• XLogP: 6.51
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.74
LogP ≤ 5	6.51
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 (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one?

The IUPAC name of (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one (CID 10717809) is (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one.

What is the SMILES notation for (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one?

The canonical SMILES for (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one is CC(C)(C)[Si](C)(C)OC/C=C1/C=C(/C=C/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1.

What is the InChIKey of (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one?

The InChIKey is OPXZXWDHUMBOPG-XQWFHAJTSA-N. The full InChI is InChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)25-16-13-11-12-14-19-18-20(27-21(19)24)15-17-26-29(9,10)23(4,5)6/h11-15,18H,16-17H2,1-10H3/b13-11+,14-12+,20-15-.

What are the key properties of (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one?

(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one has a molecular weight of 436.74 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl]furan-2-one is sourced from PubChem (CID 10717809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).