[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol

C12H27NO2Si — CID 145222779

IUPAC[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(9-14)13(4)8-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyFJBJLYATUZIDDF-QWRGUYRKSA-N
MW245.44 g/mol
LogP2.07
Rot. Bonds3

About [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol

[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol (PubChem CID 145222779) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
PubChem CID145222779
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(9-14)13(4)8-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyFJBJLYATUZIDDF-QWRGUYRKSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 87828484
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 66844757
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
CID 100975570
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-nitrophenyl)pyrrolidin-2-yl]methanol
CID 57136502
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
CID 67078431
2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol
CID 155699527
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(ethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 155904410

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol (CID 145222779) is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol is CN1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is FJBJLYATUZIDDF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)16(5,6)15-11-7-10(9-14)13(4)8-11/h10-11,14H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 245.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 145222779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).