(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one

C24H31NO3Si — CID 101036860

IUPAC(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one
SMILESCCO[C@H]1C=CC(=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1
InChIInChI=1S/C24H31NO3Si/c1-5-27-23-17-16-22(26)21(25-23)18-28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21,23,25H,5,18H2,1-4H3/t21-,23-/m0/s1
InChIKeyLYSTVGFZJDVSAM-GMAHTHKFSA-N
MW409.60 g/mol
LogP3.02
Rot. Bonds7

About (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one

(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one (PubChem CID 101036860) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one.

Molecular Properties

Compound Name(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one
PubChem CID101036860
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one
SMILESCCO[C@H]1C=CC(=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1
InChIInChI=1S/C24H31NO3Si/c1-5-27-23-17-16-22(26)21(25-23)18-28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21,23,25H,5,18H2,1-4H3/t21-,23-/m0/s1
InChIKeyLYSTVGFZJDVSAM-GMAHTHKFSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
CID 59795858
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
CID 10667817
(3S,8S,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-hydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11112628
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidenepyrrolidin-2-one
CID 164561891
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one?
The IUPAC name of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one (CID 101036860) is (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one.
What is the SMILES notation for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one?
The canonical SMILES for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one is CCO[C@H]1C=CC(=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1.
What is the InChIKey of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one?
The InChIKey is LYSTVGFZJDVSAM-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H31NO3Si/c1-5-27-23-17-16-22(26)21(25-23)18-28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21,23,25H,5,18H2,1-4H3/t21-,23-/m0/s1.
What are the key properties of (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one?
(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one has a molecular weight of 409.60 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-2,6-dihydro-1H-pyridin-3-one is sourced from PubChem (CID 101036860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).