2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione

C25H39NO4Si — CID 54754261

About 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione

2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione (PubChem CID 54754261) has the molecular formula C25H39NO4Si and a molecular weight of 445.68 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione
• PubChem CID: 54754261
• Molecular Formula: C25H39NO4Si
• Molecular Weight: 445.68 g/mol
• Exact Mass: 445.26
• IUPAC Name: 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione
• SMILES: CC(C)=CCCC(CCCCO[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C25H39NO4Si/c1-19(2)13-12-15-20(14-10-11-18-29-31(6,7)25(3,4)5)30-26-23(27)21-16-8-9-17-22(21)24(26)28/h8-9,13,16-17,20H,10-12,14-15,18H2,1-7H3
• InChIKey: UBJZJAQAEXGRNA-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.68
LogP ≤ 5	6.52
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione?

The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione (CID 54754261) is 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione.

What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione?

The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione is CC(C)=CCCC(CCCCO[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione?

The InChIKey is UBJZJAQAEXGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO4Si/c1-19(2)13-12-15-20(14-10-11-18-29-31(6,7)25(3,4)5)30-26-23(27)21-16-8-9-17-22(21)24(26)28/h8-9,13,16-17,20H,10-12,14-15,18H2,1-7H3.

What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione?

2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione has a molecular weight of 445.68 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 54754261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).