[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol

C22H31NO2Si — CID 178119164

IUPAC[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1CNC[C@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-23-14-18(19)16-24/h4-13,18-19,23-24H,14-17H2,1-3H3/t18-,19+/m0/s1
InChIKeyXSYDDDDARJYSBM-RBUKOAKNSA-N
MW369.58 g/mol
LogP2.39
Rot. Bonds6

About [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol

[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol (PubChem CID 178119164) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
PubChem CID178119164
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1CNC[C@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-23-14-18(19)16-24/h4-13,18-19,23-24H,14-17H2,1-3H3/t18-,19+/m0/s1
InChIKeyXSYDDDDARJYSBM-RBUKOAKNSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.39
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

[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol
CID 132942450
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(methylsulfanyl)cyclobutyl]methoxy]-diphenylsilane;[(1S,2S)-2-(hydroxymethyl)-3,3-bis(methylsulfanyl)cyclobutyl]methanol
CID 160586441
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol (CID 178119164) is [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol is CC(C)(C)[Si](OC[C@H]1CNC[C@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol?
The InChIKey is XSYDDDDARJYSBM-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-23-14-18(19)16-24/h4-13,18-19,23-24H,14-17H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol?
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol has a molecular weight of 369.58 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 178119164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).