[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

C28H35NO2Si — CID 57385481

IUPAC[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@H]1CCN(Cc2ccccc2)[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-27-19-20-29(26(27)22-30)21-23-13-7-4-8-14-23/h4-18,26-27,30H,19-22H2,1-3H3/t26-,27+/m1/s1
InChIKeyBIIFEUKQCSPLNU-SXOMAYOGSA-N
MW445.68 g/mol
LogP4.20
Rot. Bonds7

About [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (PubChem CID 57385481) has the molecular formula C28H35NO2Si and a molecular weight of 445.68 g/mol. Its IUPAC name is [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
PubChem CID57385481
Molecular FormulaC28H35NO2Si
Molecular Weight445.68 g/mol
Exact Mass445.24
IUPAC Name[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@H]1CCN(Cc2ccccc2)[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-27-19-20-29(26(27)22-30)21-23-13-7-4-8-14-23/h4-18,26-27,30H,19-22H2,1-3H3/t26-,27+/m1/s1
InChIKeyBIIFEUKQCSPLNU-SXOMAYOGSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.20
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

benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
CID 10837631
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
CID 10671554
[(4aS,7R,7aS)-1-benzyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-7-yl]methoxy-tert-butyl-diphenylsilane
CID 72722960
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
1-O-tert-butyl 2-O-methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 143106522

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (CID 57385481) is [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is CC(C)(C)[Si](O[C@H]1CCN(Cc2ccccc2)[C@@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The InChIKey is BIIFEUKQCSPLNU-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H35NO2Si/c1-28(2,3)32(24-15-9-5-10-16-24,25-17-11-6-12-18-25)31-27-19-20-29(26(27)22-30)21-23-13-7-4-8-14-23/h4-18,26-27,30H,19-22H2,1-3H3/t26-,27+/m1/s1.
What are the key properties of [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol has a molecular weight of 445.68 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 57385481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).