ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate

C20H36O4Si — CID 57327645

About ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate

ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate (PubChem CID 57327645) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate.

Molecular Properties

• Compound Name: ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate
• PubChem CID: 57327645
• Molecular Formula: C20H36O4Si
• Molecular Weight: 368.59 g/mol
• Exact Mass: 368.24
• IUPAC Name: ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate
• SMILES: CCOC(=O)CC(=O)/C=C/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H36O4Si/c1-8-23-19(22)16-18(21)15-13-11-9-10-12-14-17(2)24-25(6,7)20(3,4)5/h9,11,13,15,17H,8,10,12,14,16H2,1-7H3/b11-9+,15-13+/t17-/m1/s1
• InChIKey: GLGZWYFHUWRISS-BHQQVJJRSA-N
• XLogP: 5.20
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.59
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate?

The IUPAC name of ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate (CID 57327645) is ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate.

What is the SMILES notation for ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate?

The canonical SMILES for ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate is CCOC(=O)CC(=O)/C=C/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate?

The InChIKey is GLGZWYFHUWRISS-BHQQVJJRSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-8-23-19(22)16-18(21)15-13-11-9-10-12-14-17(2)24-25(6,7)20(3,4)5/h9,11,13,15,17H,8,10,12,14,16H2,1-7H3/b11-9+,15-13+/t17-/m1/s1.

What are the key properties of ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate?

ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate has a molecular weight of 368.59 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate is sourced from PubChem (CID 57327645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).