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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Related Compounds

2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
CID 172562700
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
CID 21111569
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10789943
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
CID 15924368

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).