2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one

C18H29NO2Si — CID 164583049

IUPAC2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)CN1Cc2ccccc2C1=O
InChIInChI=1S/C18H29NO2Si/c1-14(13-21-22(5,6)18(2,3)4)11-19-12-15-9-7-8-10-16(15)17(19)20/h7-10,14H,11-13H2,1-6H3/t14-/m1/s1
InChIKeyODGSQIALOFUIBX-CQSZACIVSA-N
MW319.52 g/mol
LogP4.30
Rot. Bonds5

About 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one

2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one (PubChem CID 164583049) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one
PubChem CID164583049
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)CN1Cc2ccccc2C1=O
InChIInChI=1S/C18H29NO2Si/c1-14(13-21-22(5,6)18(2,3)4)11-19-12-15-9-7-8-10-16(15)17(19)20/h7-10,14H,11-13H2,1-6H3/t14-/m1/s1
InChIKeyODGSQIALOFUIBX-CQSZACIVSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
propan-2-yl 2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoate
CID 119036422
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 101456517
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
4-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-6-methyl-1,4-benzoxazin-3-one
CID 68909987
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
2-[(2S)-2-(2-hydroxyethyl)-4-methylpentyl]-3H-isoindol-1-one;(3S)-5-methyl-3-[(3-oxo-1H-isoindol-2-yl)methyl]hexanal
CID 161401027
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
2-[2-methyl-3-(methylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422900

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one (CID 164583049) is 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one is C[C@@H](CO[Si](C)(C)C(C)(C)C)CN1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one?
The InChIKey is ODGSQIALOFUIBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-14(13-21-22(5,6)18(2,3)4)11-19-12-15-9-7-8-10-16(15)17(19)20/h7-10,14H,11-13H2,1-6H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one?
2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one has a molecular weight of 319.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 164583049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).