2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione

C17H25NO4Si — CID 21111569

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
SMILESCC(CON1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H25NO4Si/c1-12(22-23(5,6)17(2,3)4)11-21-18-15(19)13-9-7-8-10-14(13)16(18)20/h7-10,12H,11H2,1-6H3
InChIKeyGCUNXHWKISRLSW-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione

2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione (PubChem CID 21111569) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
PubChem CID21111569
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
SMILESCC(CON1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H25NO4Si/c1-12(22-23(5,6)17(2,3)4)11-21-18-15(19)13-9-7-8-10-14(13)16(18)20/h7-10,12H,11H2,1-6H3
InChIKeyGCUNXHWKISRLSW-UHFFFAOYSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione (CID 21111569) is 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione is CC(CON1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione?
The InChIKey is GCUNXHWKISRLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-12(22-23(5,6)17(2,3)4)11-21-18-15(19)13-9-7-8-10-14(13)16(18)20/h7-10,12H,11H2,1-6H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione?
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione has a molecular weight of 335.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione is sourced from PubChem (CID 21111569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).