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

C15H26O5Si — CID 100997532

IUPACethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O5Si/c1-7-18-14(17)11-8-9-13(16)20-12(11)10-19-21(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyRVEPILZPJJIJPL-VXGBXAGGSA-N
MW314.45 g/mol
LogP2.67
Rot. Bonds5

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

ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate (PubChem CID 100997532) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate
PubChem CID100997532
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Nameethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O5Si/c1-7-18-14(17)11-8-9-13(16)20-12(11)10-19-21(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyRVEPILZPJJIJPL-VXGBXAGGSA-N
XLogP2.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.67
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

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
Diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15642655
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
[(2R,3S,6S)-3-acetyloxy-6-(3,6-dioxo-4-trimethylsilylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134923963
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] butanoate
CID 19389476
6-t-Butyldimethylsilyloxymethyl-5,6-dihydropyran-2-one
CID 19389481
[(E,2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (E,5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 58599701
[6-[(2-Methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] 5-[3-[tert-butyl(dimethyl)silyl]oxybutanoyloxy]hex-2-enoate
CID 72967965
[(2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 91046523
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
CID 10924034
[(6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohex-2-en-1-yl] acetate
CID 11055207
methyl (6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
CID 11086777

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate?
The IUPAC name of ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate (CID 100997532) is ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate?
The canonical SMILES for ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate is CCOC(=O)[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate?
The InChIKey is RVEPILZPJJIJPL-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-7-18-14(17)11-8-9-13(16)20-12(11)10-19-21(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate?
ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate is sourced from PubChem (CID 100997532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).