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

C24H35NO2Si — CID 11211674

IUPAC[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C
InChIInChI=1S/C24H35NO2Si/c1-6-24(19-26)17-20(18-25(24)5)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24+/m1/s1
InChIKeyORWREGAQHWBPAX-YKSBVNFPSA-N
MW397.63 g/mol
LogP3.41
Rot. Bonds6

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

[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol (PubChem CID 11211674) has the molecular formula C24H35NO2Si and a molecular weight of 397.63 g/mol. Its IUPAC name is [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
PubChem CID11211674
Molecular FormulaC24H35NO2Si
Molecular Weight397.63 g/mol
Exact Mass397.24
IUPAC Name[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C
InChIInChI=1S/C24H35NO2Si/c1-6-24(19-26)17-20(18-25(24)5)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24+/m1/s1
InChIKeyORWREGAQHWBPAX-YKSBVNFPSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.41
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

(2S,4R)-1-benzyl-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 11099295
[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 16680156
(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 172287807
(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-ol
CID 172288534
(3S,5S)-1-benzyl-3-(tert-butyldimethylsilyloxy)-5-hydroxymethylpyrrolidine
CID 119081430
Tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11144905
((2R,4S)-1-Benzyl-4-((tert-butyldimethylsilyl)oxy)pyrrolidin-2-yl)methanol
CID 11186323
(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 14821728
(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 14821729
((2S,4S)-1-benzyl-4-((tert-butyldimethylsilyl)oxy)pyrrolidin-2-yl)methanol
CID 19971554
(2R,3R,4R,5R)-1-butyl-2-[[3,3-dimethylbutyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 22869110
[(2R,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-pyrrolidin-2-yl]methanol
CID 23248580

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol (CID 11211674) is [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol is CC[C@@]1(CO)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C.
What is the InChIKey of [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is ORWREGAQHWBPAX-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-6-24(19-26)17-20(18-25(24)5)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24+/m1/s1.
What are the key properties of [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 397.63 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 11211674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).