(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one

C12H23NO3Si — CID 11334385

IUPAC(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1NC(=O)C=C[C@@H]1O
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-8-9-10(14)6-7-11(15)13-9/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/t9-,10+/m1/s1
InChIKeySRRIOOOMVNXXLL-ZJUUUORDSA-N
MW257.41 g/mol
LogP1.42
Rot. Bonds3

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

(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one (PubChem CID 11334385) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one
PubChem CID11334385
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1NC(=O)C=C[C@@H]1O
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-8-9-10(14)6-7-11(15)13-9/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/t9-,10+/m1/s1
InChIKeySRRIOOOMVNXXLL-ZJUUUORDSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one (CID 11334385) is (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one is CC(C)(C)[Si](C)(C)OC[C@H]1NC(=O)C=C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is SRRIOOOMVNXXLL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)16-8-9-10(14)6-7-11(15)13-9/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one?
(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 257.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 11334385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).