2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione

C21H26N2O3Si — CID 172562700

IUPAC2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCc1cncc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H26N2O3Si/c1-21(2,3)27(4,5)26-14-16-10-15(11-22-12-16)13-23-19(24)17-8-6-7-9-18(17)20(23)25/h6-12H,13-14H2,1-5H3
InChIKeyNALRDNBTEAPHSH-UHFFFAOYSA-N
MW382.54 g/mol
LogP4.40
Rot. Bonds5

About 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione

2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 172562700) has the molecular formula C21H26N2O3Si and a molecular weight of 382.54 g/mol. Its IUPAC name is 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID172562700
Molecular FormulaC21H26N2O3Si
Molecular Weight382.54 g/mol
Exact Mass382.17
IUPAC Name2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCc1cncc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H26N2O3Si/c1-21(2,3)27(4,5)26-14-16-10-15(11-22-12-16)13-23-19(24)17-8-6-7-9-18(17)20(23)25/h6-12H,13-14H2,1-5H3
InChIKeyNALRDNBTEAPHSH-UHFFFAOYSA-N
XLogP4.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
2-[[3-(propoxymethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959284
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione
CID 86729180
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione (CID 172562700) is 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OCc1cncc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is NALRDNBTEAPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3Si/c1-21(2,3)27(4,5)26-14-16-10-15(11-22-12-16)13-23-19(24)17-8-6-7-9-18(17)20(23)25/h6-12H,13-14H2,1-5H3.
What are the key properties of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione?
2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 382.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 172562700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).