ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate

C13H24O5Si — CID 102073248

IUPACethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)[C@]1(C)CC(O[Si](C)(C)C)=C[C@H](OC)O1
InChIInChI=1S/C13H24O5Si/c1-7-16-12(14)13(2)9-10(18-19(4,5)6)8-11(15-3)17-13/h8,11H,7,9H2,1-6H3/t11-,13+/m1/s1
InChIKeyWKGDLUMCLBJBLH-YPMHNXCESA-N
MW288.42 g/mol
LogP2.44
Rot. Bonds5

About ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate

ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate (PubChem CID 102073248) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate
PubChem CID102073248
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Nameethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)[C@]1(C)CC(O[Si](C)(C)C)=C[C@H](OC)O1
InChIInChI=1S/C13H24O5Si/c1-7-16-12(14)13(2)9-10(18-19(4,5)6)8-11(15-3)17-13/h8,11H,7,9H2,1-6H3/t11-,13+/m1/s1
InChIKeyWKGDLUMCLBJBLH-YPMHNXCESA-N
XLogP2.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate?
The IUPAC name of ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate (CID 102073248) is ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate is CCOC(=O)[C@]1(C)CC(O[Si](C)(C)C)=C[C@H](OC)O1.
What is the InChIKey of ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate?
The InChIKey is WKGDLUMCLBJBLH-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24O5Si/c1-7-16-12(14)13(2)9-10(18-19(4,5)6)8-11(15-3)17-13/h8,11H,7,9H2,1-6H3/t11-,13+/m1/s1.
What are the key properties of ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate?
ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate has a molecular weight of 288.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate is sourced from PubChem (CID 102073248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).