ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate

C25H48O3Si — CID 11048155

About ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate

ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate (PubChem CID 11048155) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate.

Molecular Properties

• Compound Name: ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate
• PubChem CID: 11048155
• Molecular Formula: C25H48O3Si
• Molecular Weight: 424.74 g/mol
• Exact Mass: 424.34
• IUPAC Name: ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate
• SMILES: CCOC(=O)/C(C)=C/CCCCCCCCC/C=C(\C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H48O3Si/c1-9-27-24(26)23(3)20-18-16-14-12-10-11-13-15-17-19-22(2)21-28-29(7,8)25(4,5)6/h19-20H,9-18,21H2,1-8H3/b22-19+,23-20+
• InChIKey: LYGQQRLXRYHESJ-WDAKLKSISA-N
• XLogP: 7.97
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.74
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate?

The IUPAC name of ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate (CID 11048155) is ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate.

What is the SMILES notation for ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate?

The canonical SMILES for ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate is CCOC(=O)/C(C)=C/CCCCCCCCC/C=C(\C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate?

The InChIKey is LYGQQRLXRYHESJ-WDAKLKSISA-N. The full InChI is InChI=1S/C25H48O3Si/c1-9-27-24(26)23(3)20-18-16-14-12-10-11-13-15-17-19-22(2)21-28-29(7,8)25(4,5)6/h19-20H,9-18,21H2,1-8H3/b22-19+,23-20+.

What are the key properties of ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate?

ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate has a molecular weight of 424.74 g/mol, XLogP of 7.97, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate is sourced from PubChem (CID 11048155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).