2-(2-triethoxysilylethyl)isoindole-1,3-dione

C16H23NO5Si — CID 19362095

IUPAC2-(2-triethoxysilylethyl)isoindole-1,3-dione
SMILESCCO[Si](CCN1C(=O)c2ccccc2C1=O)(OCC)OCC
InChIInChI=1S/C16H23NO5Si/c1-4-20-23(21-5-2,22-6-3)12-11-17-15(18)13-9-7-8-10-14(13)16(17)19/h7-10H,4-6,11-12H2,1-3H3
InChIKeyADPCHFGHDSDHEF-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.33
Rot. Bonds9

About 2-(2-triethoxysilylethyl)isoindole-1,3-dione

2-(2-triethoxysilylethyl)isoindole-1,3-dione (PubChem CID 19362095) has the molecular formula C16H23NO5Si and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(2-triethoxysilylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-triethoxysilylethyl)isoindole-1,3-dione
PubChem CID19362095
Molecular FormulaC16H23NO5Si
Molecular Weight337.45 g/mol
Exact Mass337.13
IUPAC Name2-(2-triethoxysilylethyl)isoindole-1,3-dione
SMILESCCO[Si](CCN1C(=O)c2ccccc2C1=O)(OCC)OCC
InChIInChI=1S/C16H23NO5Si/c1-4-20-23(21-5-2,22-6-3)12-11-17-15(18)13-9-7-8-10-14(13)16(17)19/h7-10H,4-6,11-12H2,1-3H3
InChIKeyADPCHFGHDSDHEF-UHFFFAOYSA-N
XLogP2.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.33
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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Related Compounds

6-bromo-2-(3-triethoxysilylpropyl)benzo[de]isoquinoline-1,3-dione
CID 102165860
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-(3-triethoxysilylpropylhexasulfanyl)isoindole-1,3-dione
CID 139813746
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
CID 134109727
2-[2-[chloro(ethoxy)phosphoryl]ethyl]isoindole-1,3-dione
CID 102021164
2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione
CID 58517396
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302

Frequently Asked Questions

What is the IUPAC name of 2-(2-triethoxysilylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-triethoxysilylethyl)isoindole-1,3-dione (CID 19362095) is 2-(2-triethoxysilylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-triethoxysilylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-triethoxysilylethyl)isoindole-1,3-dione is CCO[Si](CCN1C(=O)c2ccccc2C1=O)(OCC)OCC.
What is the InChIKey of 2-(2-triethoxysilylethyl)isoindole-1,3-dione?
The InChIKey is ADPCHFGHDSDHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5Si/c1-4-20-23(21-5-2,22-6-3)12-11-17-15(18)13-9-7-8-10-14(13)16(17)19/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(2-triethoxysilylethyl)isoindole-1,3-dione?
2-(2-triethoxysilylethyl)isoindole-1,3-dione has a molecular weight of 337.45 g/mol, XLogP of 2.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-triethoxysilylethyl)isoindole-1,3-dione is sourced from PubChem (CID 19362095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).