2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol

C13H29NO2Si — CID 59659457

IUPAC2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCO
InChIInChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-7-9-14(4)11(12)8-10-15/h11-12,15H,7-10H2,1-6H3/t11-,12?/m0/s1
InChIKeyDOIBVKQXWMSNJE-PXYINDEMSA-N
MW259.47 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol

2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 59659457) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol
PubChem CID59659457
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCO
InChIInChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-7-9-14(4)11(12)8-10-15/h11-12,15H,7-10H2,1-6H3/t11-,12?/m0/s1
InChIKeyDOIBVKQXWMSNJE-PXYINDEMSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol (CID 59659457) is 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol is CN1CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is DOIBVKQXWMSNJE-PXYINDEMSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-7-9-14(4)11(12)8-10-15/h11-12,15H,7-10H2,1-6H3/t11-,12?/m0/s1.
What are the key properties of 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol?
2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 259.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 59659457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).