2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione

C22H27NO4Si — CID 101060892

IUPAC2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H27NO4Si/c1-22(2,3)28(4,5)27-15-17-12-10-16(11-13-17)14-26-23-20(24)18-8-6-7-9-19(18)21(23)25/h6-13H,14-15H2,1-5H3
InChIKeyHCXBVOSKBFPRFY-UHFFFAOYSA-N
MW397.55 g/mol
LogP4.94
Rot. Bonds6

About 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione

2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 101060892) has the molecular formula C22H27NO4Si and a molecular weight of 397.55 g/mol. Its IUPAC name is 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
PubChem CID101060892
Molecular FormulaC22H27NO4Si
Molecular Weight397.55 g/mol
Exact Mass397.17
IUPAC Name2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H27NO4Si/c1-22(2,3)28(4,5)27-15-17-12-10-16(11-13-17)14-26-23-20(24)18-8-6-7-9-19(18)21(23)25/h6-13H,14-15H2,1-5H3
InChIKeyHCXBVOSKBFPRFY-UHFFFAOYSA-N
XLogP4.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.94
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-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione (CID 101060892) is 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OCc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is HCXBVOSKBFPRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4Si/c1-22(2,3)28(4,5)27-15-17-12-10-16(11-13-17)14-26-23-20(24)18-8-6-7-9-19(18)21(23)25/h6-13H,14-15H2,1-5H3.
What are the key properties of 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione?
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 397.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 101060892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).