methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate

C26H54O4Si2 — CID 87528223

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate (PubChem CID 87528223) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate.

Molecular Properties

• Compound Name: methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate
• PubChem CID: 87528223
• Molecular Formula: C26H54O4Si2
• Molecular Weight: 486.89 g/mol
• Exact Mass: 486.36
• IUPAC Name: methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate
• SMILES: COC(=O)C(CCO[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C)CCCC(C)C
• InChI: InChI=1S/C26H54O4Si2/c1-20(2)16-15-17-21(3)23(30-32(13,14)26(7,8)9)22(24(27)28-10)18-19-29-31(11,12)25(4,5)6/h20-21H,15-19H2,1-14H3
• InChIKey: RAYRDHDHBIYHCP-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.89
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate?

The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate (CID 87528223) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate.

What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate?

The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate is COC(=O)C(CCO[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C)CCCC(C)C.

What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate?

The InChIKey is RAYRDHDHBIYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-20(2)16-15-17-21(3)23(30-32(13,14)26(7,8)9)22(24(27)28-10)18-19-29-31(11,12)25(4,5)6/h20-21H,15-19H2,1-14H3.

What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate?

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate has a molecular weight of 486.89 g/mol, XLogP of 8.31, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnon-2-enoate is sourced from PubChem (CID 87528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).