2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione

C23H39NO5Si2 — CID 140883343

IUPAC2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H39NO5Si2/c1-22(2,3)30(7,8)27-15-17(16-28-31(9,10)23(4,5)6)29-24-20(25)18-13-11-12-14-19(18)21(24)26/h11-14,17H,15-16H2,1-10H3
InChIKeyNGPOGIOUOIDQKM-UHFFFAOYSA-N
MW465.74 g/mol
LogP5.63
Rot. Bonds8

About 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione (PubChem CID 140883343) has the molecular formula C23H39NO5Si2 and a molecular weight of 465.74 g/mol. Its IUPAC name is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
PubChem CID140883343
Molecular FormulaC23H39NO5Si2
Molecular Weight465.74 g/mol
Exact Mass465.24
IUPAC Name2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H39NO5Si2/c1-22(2,3)30(7,8)27-15-17(16-28-31(9,10)23(4,5)6)29-24-20(25)18-13-11-12-14-19(18)21(24)26/h11-14,17H,15-16H2,1-10H3
InChIKeyNGPOGIOUOIDQKM-UHFFFAOYSA-N
XLogP5.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.74
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione?
The IUPAC name of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione (CID 140883343) is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione?
The canonical SMILES for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione?
The InChIKey is NGPOGIOUOIDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO5Si2/c1-22(2,3)30(7,8)27-15-17(16-28-31(9,10)23(4,5)6)29-24-20(25)18-13-11-12-14-19(18)21(24)26/h11-14,17H,15-16H2,1-10H3.
What are the key properties of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione?
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione has a molecular weight of 465.74 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione is sourced from PubChem (CID 140883343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).