(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde

C12H23NO3Si — CID 10563121

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10(8-14)9-6-7-11(15)13-9/h8-10H,6-7H2,1-5H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyUACBHLLQLZIGBU-UWVGGRQHSA-N
MW257.41 g/mol
LogP1.85
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde (PubChem CID 10563121) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
PubChem CID10563121
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10(8-14)9-6-7-11(15)13-9/h8-10H,6-7H2,1-5H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyUACBHLLQLZIGBU-UWVGGRQHSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde (CID 10563121) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde?
The InChIKey is UACBHLLQLZIGBU-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-10(8-14)9-6-7-11(15)13-9/h8-10H,6-7H2,1-5H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde has a molecular weight of 257.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde is sourced from PubChem (CID 10563121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).