(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

C12H20O4Si — CID 11288341

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1
InChIKeyXJJFRZRMHGAPMR-UWVGGRQHSA-N
MW256.37 g/mol
LogP2.06
Rot. Bonds3

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (PubChem CID 11288341) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
PubChem CID11288341
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1
InChIKeyXJJFRZRMHGAPMR-UWVGGRQHSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (CID 11288341) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1C=O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The InChIKey is XJJFRZRMHGAPMR-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)16-9-6-7-11(14)15-10(9)8-13/h6-10H,1-5H3/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde has a molecular weight of 256.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 11288341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).