2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione

C18H19NO2Si — CID 15225532

IUPAC2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione
SMILESC[Si](C)(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO2Si/c1-22(2,12-14-8-4-3-5-9-14)13-19-17(20)15-10-6-7-11-16(15)18(19)21/h3-11H,12-13H2,1-2H3
InChIKeyAINXKOKFDMEBKC-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.31
Rot. Bonds4

About 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione

2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione (PubChem CID 15225532) has the molecular formula C18H19NO2Si and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione
PubChem CID15225532
Molecular FormulaC18H19NO2Si
Molecular Weight309.44 g/mol
Exact Mass309.12
IUPAC Name2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione
SMILESC[Si](C)(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO2Si/c1-22(2,12-14-8-4-3-5-9-14)13-19-17(20)15-10-6-7-11-16(15)18(19)21/h3-11H,12-13H2,1-2H3
InChIKeyAINXKOKFDMEBKC-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione
CID 15225547
benzyl-dimethyl-(pyrrolidin-1-ylmethyl)silane
CID 19007226
2-(trimethylstannylmethyl)isoindole-1,3-dione
CID 10426383
benzyl-dimethyl-(3-methylbut-2-enyl)silane
CID 86181978
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
CID 171374663
CID 171374663
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindole-1,3-dione
CID 6922522
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
2-hydroxyisoindole-1,3-dione;propane
CID 143899638

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione (CID 15225532) is 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione is C[Si](C)(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione?
The InChIKey is AINXKOKFDMEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2Si/c1-22(2,12-14-8-4-3-5-9-14)13-19-17(20)15-10-6-7-11-16(15)18(19)21/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione?
2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione has a molecular weight of 309.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(dimethyl)silyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 15225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).