2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

C21H29NO2Si — CID 73075636

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OCC1NCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19-20(23)14-15-22-19/h4-13,19-20,22-23H,14-16H2,1-3H3
InChIKeyJZOGTPBNVFQWBA-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.29
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (PubChem CID 73075636) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
PubChem CID73075636
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OCC1NCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19-20(23)14-15-22-19/h4-13,19-20,22-23H,14-16H2,1-3H3
InChIKeyJZOGTPBNVFQWBA-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-4-(tert-Butyldiphenylsilyloxy)-L-proline
CID 11552425
[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 11211674
(S)-2-(((Tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine
CID 11234959
(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 16114672
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxy-silane
CID 58393504
(4S)-4-{[tert-Butyl(diphenyl)silyl]oxy}-D-proline
CID 71414920
C21H29NOSi
CID 72762622
[3-[8-[Tert-butyl(diphenyl)silyl]oxyoctyl]aziridin-2-yl]methanol
CID 135067192
tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane
CID 140882011
(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 169321851
(1S)-2-[bis(4-fluorophenyl)-methylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 169321892
tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 170771909

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (CID 73075636) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is CC(C)(C)[Si](OCC1NCCC1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is JZOGTPBNVFQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19-20(23)14-15-22-19/h4-13,19-20,22-23H,14-16H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol has a molecular weight of 355.55 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 73075636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).