ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate

C23H42O4Si — CID 134924492

About ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate

ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate (PubChem CID 134924492) has the molecular formula C23H42O4Si and a molecular weight of 410.67 g/mol. Its IUPAC name is ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate.

Molecular Properties

• Compound Name: ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate
• PubChem CID: 134924492
• Molecular Formula: C23H42O4Si
• Molecular Weight: 410.67 g/mol
• Exact Mass: 410.29
• IUPAC Name: ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate
• SMILES: CCOC(=O)CC(=O)/C=C/C(C)=C/C(CC)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C23H42O4Si/c1-10-21(16-27-28(17(3)4,18(5)6)19(7)8)14-20(9)12-13-22(24)15-23(25)26-11-2/h12-14,17-19,21H,10-11,15-16H2,1-9H3/b13-12+,20-14+
• InChIKey: KGTBNNGPDHFFNA-VIWRHKKTSA-N
• XLogP: 6.23
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.67
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate?

The IUPAC name of ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate (CID 134924492) is ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate.

What is the SMILES notation for ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate?

The canonical SMILES for ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate is CCOC(=O)CC(=O)/C=C/C(C)=C/C(CC)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate?

The InChIKey is KGTBNNGPDHFFNA-VIWRHKKTSA-N. The full InChI is InChI=1S/C23H42O4Si/c1-10-21(16-27-28(17(3)4,18(5)6)19(7)8)14-20(9)12-13-22(24)15-23(25)26-11-2/h12-14,17-19,21H,10-11,15-16H2,1-9H3/b13-12+,20-14+.

What are the key properties of ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate?

ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate has a molecular weight of 410.67 g/mol, XLogP of 6.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate is sourced from PubChem (CID 134924492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).