2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione

C22H27NO3Si — CID 102462827

IUPAC2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(4,5)26-19(16-11-7-6-8-12-16)15-23-20(24)17-13-9-10-14-18(17)21(23)25/h6-14,19H,15H2,1-5H3/t19-/m1/s1
InChIKeyQSIQQGYJFVISQR-LJQANCHMSA-N
MW381.55 g/mol
LogP5.05
Rot. Bonds5

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

2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione (PubChem CID 102462827) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione
PubChem CID102462827
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(4,5)26-19(16-11-7-6-8-12-16)15-23-20(24)17-13-9-10-14-18(17)21(23)25/h6-14,19H,15H2,1-5H3/t19-/m1/s1
InChIKeyQSIQQGYJFVISQR-LJQANCHMSA-N
XLogP5.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione (CID 102462827) is 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)O[C@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione?
The InChIKey is QSIQQGYJFVISQR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-22(2,3)27(4,5)26-19(16-11-7-6-8-12-16)15-23-20(24)17-13-9-10-14-18(17)21(23)25/h6-14,19H,15H2,1-5H3/t19-/m1/s1.
What are the key properties of 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione?
2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione has a molecular weight of 381.55 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]isoindole-1,3-dione is sourced from PubChem (CID 102462827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).