2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione

C19H27NO3Si — CID 42637665

IUPAC2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione
SMILESCC(C)[Si](O/C=C\N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H27NO3Si/c1-13(2)24(14(3)4,15(5)6)23-12-11-20-18(21)16-9-7-8-10-17(16)19(20)22/h7-15H,1-6H3/b12-11-
InChIKeyBXZANYHOCKVYHT-QXMHVHEDSA-N
MW345.52 g/mol
LogP4.95
Rot. Bonds6

About 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione

2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione (PubChem CID 42637665) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione
PubChem CID42637665
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Name2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione
SMILESCC(C)[Si](O/C=C\N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H27NO3Si/c1-13(2)24(14(3)4,15(5)6)23-12-11-20-18(21)16-9-7-8-10-17(16)19(20)22/h7-15H,1-6H3/b12-11-
InChIKeyBXZANYHOCKVYHT-QXMHVHEDSA-N
XLogP4.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(E)-2-bromoethenyl]isoindole-1,3-dione
CID 139241091
2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
CID 42637666
2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione
CID 10601088
(2S,3R)-2-(1,3-dioxoisoindol-2-yl)-3-tri(propan-2-yl)silyloxybutanoic acid
CID 15817127
2-ethenylisoindole-1,3-dione
CID 175832384
2-di(propan-2-yl)phosphorylisoindole-1,3-dione
CID 134976503
2-prop-1-enoxyisoindole-1,3-dione
CID 158403520
CID 163871249
CID 163871249
2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione
CID 102079994
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)but-3-enoate
CID 11096858
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione (CID 42637665) is 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione is CC(C)[Si](O/C=C\N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione?
The InChIKey is BXZANYHOCKVYHT-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-13(2)24(14(3)4,15(5)6)23-12-11-20-18(21)16-9-7-8-10-17(16)19(20)22/h7-15H,1-6H3/b12-11-.
What are the key properties of 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione?
2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione has a molecular weight of 345.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione is sourced from PubChem (CID 42637665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).