2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione

C20H25NO4Si — CID 10970722

IUPAC2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione
SMILESC=C/C=C/O/C(=C/N1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H25NO4Si/c1-7-8-13-24-17(25-26(5,6)20(2,3)4)14-21-18(22)15-11-9-10-12-16(15)19(21)23/h7-14H,1H2,2-6H3/b13-8+,17-14-
InChIKeyYRIDSUICJJZOAH-SXWMIQJBSA-N
MW371.51 g/mol
LogP4.82
Rot. Bonds6

About 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione

2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione (PubChem CID 10970722) has the molecular formula C20H25NO4Si and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione
PubChem CID10970722
Molecular FormulaC20H25NO4Si
Molecular Weight371.51 g/mol
Exact Mass371.16
IUPAC Name2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione
SMILESC=C/C=C/O/C(=C/N1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H25NO4Si/c1-7-8-13-24-17(25-26(5,6)20(2,3)4)14-21-18(22)15-11-9-10-12-16(15)19(21)23/h7-14H,1H2,2-6H3/b13-8+,17-14-
InChIKeyYRIDSUICJJZOAH-SXWMIQJBSA-N
XLogP4.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethenylisoindole-1,3-dione
CID 175832384
[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane
CID 102468198
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
CID 101154942
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
methyl (Z)-3-(1,3-dioxoisoindol-2-yl)-2-formylprop-2-enoate
CID 139036666
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
CID 21111569
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione (CID 10970722) is 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione is C=C/C=C/O/C(=C/N1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione?
The InChIKey is YRIDSUICJJZOAH-SXWMIQJBSA-N. The full InChI is InChI=1S/C20H25NO4Si/c1-7-8-13-24-17(25-26(5,6)20(2,3)4)14-21-18(22)15-11-9-10-12-16(15)19(21)23/h7-14H,1H2,2-6H3/b13-8+,17-14-.
What are the key properties of 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione?
2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione has a molecular weight of 371.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[(1E)-buta-1,3-dienoxy]-2-[tert-butyl(dimethyl)silyl]oxyethenyl]isoindole-1,3-dione is sourced from PubChem (CID 10970722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).