(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione

C26H40O6Si — CID 134973760

About (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione

(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione (PubChem CID 134973760) has the molecular formula C26H40O6Si and a molecular weight of 476.69 g/mol. Its IUPAC name is (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione.

Molecular Properties

• Compound Name: (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione
• PubChem CID: 134973760
• Molecular Formula: C26H40O6Si
• Molecular Weight: 476.69 g/mol
• Exact Mass: 476.26
• IUPAC Name: (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione
• SMILES: C=C1OC(=O)C(C(=O)C(C)CC(C)C(=O)CC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C)=C1OC
• InChI: InChI=1S/C26H40O6Si/c1-11-12-13-14-20(32-33(9,10)26(5,6)7)16-21(27)17(2)15-18(3)23(28)22-24(30-8)19(4)31-25(22)29/h11-14,17-18,20H,4,15-16H2,1-3,5-10H3/b12-11+,14-13+
• InChIKey: GRAFQPMZVDYWPC-LDHFCIDVSA-N
• XLogP: 5.67
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.69
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione?

The IUPAC name of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione (CID 134973760) is (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione.

What is the SMILES notation for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione?

The canonical SMILES for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione is C=C1OC(=O)C(C(=O)C(C)CC(C)C(=O)CC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C)=C1OC.

What is the InChIKey of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione?

The InChIKey is GRAFQPMZVDYWPC-LDHFCIDVSA-N. The full InChI is InChI=1S/C26H40O6Si/c1-11-12-13-14-20(32-33(9,10)26(5,6)7)16-21(27)17(2)15-18(3)23(28)22-24(30-8)19(4)31-25(22)29/h11-14,17-18,20H,4,15-16H2,1-3,5-10H3/b12-11+,14-13+.

What are the key properties of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione?

(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione has a molecular weight of 476.69 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-8,10-diene-1,5-dione is sourced from PubChem (CID 134973760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).