2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione

C17H25NO4Si2 — CID 102042582

IUPAC2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione
SMILESCC(=C(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H25NO4Si2/c1-12(17(21-23(2,3)4)22-24(5,6)7)18-15(19)13-10-8-9-11-14(13)16(18)20/h8-11H,1-7H3
InChIKeyIPURTWRIZJGUMB-UHFFFAOYSA-N
MW363.56 g/mol
LogP4.17
Rot. Bonds5

About 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione

2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione (PubChem CID 102042582) has the molecular formula C17H25NO4Si2 and a molecular weight of 363.56 g/mol. Its IUPAC name is 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione
PubChem CID102042582
Molecular FormulaC17H25NO4Si2
Molecular Weight363.56 g/mol
Exact Mass363.13
IUPAC Name2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione
SMILESCC(=C(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H25NO4Si2/c1-12(17(21-23(2,3)4)22-24(5,6)7)18-15(19)13-10-8-9-11-14(13)16(18)20/h8-11H,1-7H3
InChIKeyIPURTWRIZJGUMB-UHFFFAOYSA-N
XLogP4.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 54.17
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'}

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Related Compounds

2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
CID 54502671
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
2-[(Z)-2-trimethylsilyloxy-2-[(E)-[(2S)-2-tri(propan-2-yl)silyloxypropylidene]amino]ethenyl]isoindole-1,3-dione
CID 10601088
2-hydroxyisoindole-1,3-dione
CID 66775726
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
trimethylsilyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-trimethylsilyloxysulfanylazetidin-1-yl]-3-methylbut-3-enoate
CID 21314527
trimethyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methylbut-3-ene-1,1,4-tricarboxylate
CID 10992758
2-(pyridine-4-carbonyl)isoindole-1,3-dione
CID 156600138
N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 139187245
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
CID 66974961
CID 66974961

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione (CID 102042582) is 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione is CC(=C(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione?
The InChIKey is IPURTWRIZJGUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si2/c1-12(17(21-23(2,3)4)22-24(5,6)7)18-15(19)13-10-8-9-11-14(13)16(18)20/h8-11H,1-7H3.
What are the key properties of 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione?
2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione has a molecular weight of 363.56 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(trimethylsilyloxy)prop-1-en-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 102042582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).