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

C25H37NO4Si — CID 54754439

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

2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione (PubChem CID 54754439) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione
• PubChem CID: 54754439
• Molecular Formula: C25H37NO4Si
• Molecular Weight: 443.66 g/mol
• Exact Mass: 443.25
• IUPAC Name: 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione
• SMILES: CC(C)=CCCC(CC/C=C\O[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C25H37NO4Si/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/h8-9,11,13,16-18,20H,10,12,14-15H2,1-7H3/b18-11-
• InChIKey: DUYLZXKPBIKQMV-WQRHYEAKSA-N
• XLogP: 6.64
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.66
LogP ≤ 5	6.64
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione (CID 54754439) is 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione.

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

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

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

The InChIKey is DUYLZXKPBIKQMV-WQRHYEAKSA-N. The full InChI is InChI=1S/C25H37NO4Si/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/h8-9,11,13,16-18,20H,10,12,14-15H2,1-7H3/b18-11-.

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

2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione has a molecular weight of 443.66 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 54754439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).