(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

C28H35NO2Si — CID 14821729

IUPAC(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1
InChIKeyCPJNVGNWWBPBLF-DQEYMECFSA-N
MW445.68 g/mol
LogP4.20
Rot. Bonds7

About (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (PubChem CID 14821729) has the molecular formula C28H35NO2Si and a molecular weight of 445.68 g/mol. Its IUPAC name is (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
PubChem CID14821729
Molecular FormulaC28H35NO2Si
Molecular Weight445.68 g/mol
Exact Mass445.24
IUPAC Name(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1
InChIKeyCPJNVGNWWBPBLF-DQEYMECFSA-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

(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
[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 11211674
[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol
CID 59971155
(3R,4R,5R)-1-benzyl-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol
CID 90059633
Pshuwnwxcpidrw-nepjuhhusa-
CID 10998222
methyl (2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 15863910
(3R,5R)-1-benzyl-5-[tert-butyl(diphenyl)silyl]oxypiperidin-3-ol
CID 101394579
((2S,4S)-1-benzyl-4-((tert-butyldimethylsilyl)oxy)pyrrolidin-2-yl)methanol
CID 119081430
[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
CID 10837631
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propan-1-ol
CID 11047291
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propan-1-ol
CID 11101089

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (CID 14821729) is (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is CC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is CPJNVGNWWBPBLF-DQEYMECFSA-N. The full InChI is InChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1.
What are the key properties of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol 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 (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 14821729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).