ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate

C15H28O4Si — CID 102523566

IUPACethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O1
InChIInChI=1S/C15H28O4Si/c1-8-17-14(16)13-10-12(9-11(2)18-13)19-20(6,7)15(3,4)5/h9,11,13H,8,10H2,1-7H3/t11-,13+/m1/s1
InChIKeyCEUFJRUHFNWYNE-YPMHNXCESA-N
MW300.47 g/mol
LogP3.63
Rot. Bonds4

About ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 102523566) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID102523566
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O1
InChIInChI=1S/C15H28O4Si/c1-8-17-14(16)13-10-12(9-11(2)18-13)19-20(6,7)15(3,4)5/h9,11,13H,8,10H2,1-7H3/t11-,13+/m1/s1
InChIKeyCEUFJRUHFNWYNE-YPMHNXCESA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10834056
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463142
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523565
methyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyl-2H-furan-5-carboxylate
CID 135029959
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
CID 162400186
ethyl (2S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10620205
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 10810208
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 101055260
4-Acetoxy-6-t-butyldimethylsilyloxymethyl-5,6-dihydropyran-2-one
CID 19389470
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] butanoate
CID 19389476
ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 176359236
[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
CID 11722354

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 102523566) is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@@H](C)O1.
What is the InChIKey of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is CEUFJRUHFNWYNE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-17-14(16)13-10-12(9-11(2)18-13)19-20(6,7)15(3,4)5/h9,11,13H,8,10H2,1-7H3/t11-,13+/m1/s1.
What are the key properties of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 102523566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).