diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate

C22H38O5Si — CID 10024572

About diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate

diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate (PubChem CID 10024572) has the molecular formula C22H38O5Si and a molecular weight of 410.63 g/mol. Its IUPAC name is diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate.

Molecular Properties

• Compound Name: diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate
• PubChem CID: 10024572
• Molecular Formula: C22H38O5Si
• Molecular Weight: 410.63 g/mol
• Exact Mass: 410.25
• IUPAC Name: diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate
• SMILES: CCOC(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H38O5Si/c1-10-25-20(23)14-12-17(3)16-18(4)19(13-15-21(24)26-11-2)27-28(8,9)22(5,6)7/h12-16,18-19H,10-11H2,1-9H3/b14-12+,15-13+,17-16+/t18-,19-/m1/s1
• InChIKey: AQRGEYGMCINYMW-PWMOJXBSSA-N
• XLogP: 5.20
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.63
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate?

The IUPAC name of diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate (CID 10024572) is diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate.

What is the SMILES notation for diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate?

The canonical SMILES for diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate is CCOC(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate?

The InChIKey is AQRGEYGMCINYMW-PWMOJXBSSA-N. The full InChI is InChI=1S/C22H38O5Si/c1-10-25-20(23)14-12-17(3)16-18(4)19(13-15-21(24)26-11-2)27-28(8,9)22(5,6)7/h12-16,18-19H,10-11H2,1-9H3/b14-12+,15-13+,17-16+/t18-,19-/m1/s1.

What are the key properties of diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate?

diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate has a molecular weight of 410.63 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl (2E,4E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldeca-2,4,8-trienedioate is sourced from PubChem (CID 10024572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).