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

C15H26O6Si — CID 11198306

IUPAC[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O6Si/c1-7-18-14(17)21-11-8-9-13(16)20-12(11)10-19-22(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyFUWAUXUZASLLLZ-VXGBXAGGSA-N
MW330.45 g/mol
LogP3.03
Rot. Bonds5

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

[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate (PubChem CID 11198306) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate
PubChem CID11198306
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O6Si/c1-7-18-14(17)21-11-8-9-13(16)20-12(11)10-19-22(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyFUWAUXUZASLLLZ-VXGBXAGGSA-N
XLogP3.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate with MolForge

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 10335003
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyran-2-yl] acetate
CID 11174484

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate?
The IUPAC name of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate (CID 11198306) is [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate.
What is the SMILES notation for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate?
The canonical SMILES for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate is CCOC(=O)O[C@@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate?
The InChIKey is FUWAUXUZASLLLZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-7-18-14(17)21-11-8-9-13(16)20-12(11)10-19-22(5,6)15(2,3)4/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate?
[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate has a molecular weight of 330.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] ethyl carbonate is sourced from PubChem (CID 11198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).