2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione

C18H25NO3Si — CID 150593659

IUPAC2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3Si/c1-18(2,3)23(4,5)22-13-9-8-12-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-11H,12-13H2,1-5H3/b9-8+
InChIKeyIQJZTIZTJKNAHU-CMDGGOBGSA-N
MW331.49 g/mol
LogP3.86
Rot. Bonds5

About 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione

2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione (PubChem CID 150593659) has the molecular formula C18H25NO3Si and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
PubChem CID150593659
Molecular FormulaC18H25NO3Si
Molecular Weight331.49 g/mol
Exact Mass331.16
IUPAC Name2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25NO3Si/c1-18(2,3)23(4,5)22-13-9-8-12-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-11H,12-13H2,1-5H3/b9-8+
InChIKeyIQJZTIZTJKNAHU-CMDGGOBGSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[(E)-4-phenylmethoxybut-2-enyl]isoindole-1,3-dione
CID 139959561
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
CID 172562700
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
2-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]isoindole-1,3-dione
CID 102314031
2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione
CID 10690247
[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
CID 101153950
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione (CID 150593659) is 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OC/C=C/CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione?
The InChIKey is IQJZTIZTJKNAHU-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H25NO3Si/c1-18(2,3)23(4,5)22-13-9-8-12-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-11H,12-13H2,1-5H3/b9-8+.
What are the key properties of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione?
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione has a molecular weight of 331.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 150593659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).