ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate

C16H28O5Si — CID 59445851

IUPACethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H28O5Si/c1-8-19-15(18)13-9-11(2)12(14(17)21-13)10-20-22(6,7)16(3,4)5/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyDYGPYPRCTYOGMR-RYUDHWBXSA-N
MW328.48 g/mol
LogP3.26
Rot. Bonds5

About ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate

ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate (PubChem CID 59445851) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate
PubChem CID59445851
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Nameethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H28O5Si/c1-8-19-15(18)13-9-11(2)12(14(17)21-13)10-20-22(6,7)16(3,4)5/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyDYGPYPRCTYOGMR-RYUDHWBXSA-N
XLogP3.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062231
[(2S)-1-methoxy-1-oxopropan-2-yl] (1R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062234

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate?
The IUPAC name of ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate (CID 59445851) is ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate is CCOC(=O)C1=C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate?
The InChIKey is DYGPYPRCTYOGMR-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-8-19-15(18)13-9-11(2)12(14(17)21-13)10-20-22(6,7)16(3,4)5/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate?
ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate has a molecular weight of 328.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 59445851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).