[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate

C19H28O5Si — CID 10832617

IUPAC[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)C=C[C@@H]1O
InChIInChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)22-13-16-15(20)11-12-17(23-16)24-18(21)14-9-7-6-8-10-14/h6-12,15-17,20H,13H2,1-5H3/t15-,16+,17+/m0/s1
InChIKeyZDBVKVIKEDHWPA-GVDBMIGSSA-N
MW364.51 g/mol
LogP3.51
Rot. Bonds5

About [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate

[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate (PubChem CID 10832617) has the molecular formula C19H28O5Si and a molecular weight of 364.51 g/mol. Its IUPAC name is [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate.

Molecular Properties

Compound Name[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate
PubChem CID10832617
Molecular FormulaC19H28O5Si
Molecular Weight364.51 g/mol
Exact Mass364.17
IUPAC Name[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)C=C[C@@H]1O
InChIInChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)22-13-16-15(20)11-12-17(23-16)24-18(21)14-9-7-6-8-10-14/h6-12,15-17,20H,13H2,1-5H3/t15-,16+,17+/m0/s1
InChIKeyZDBVKVIKEDHWPA-GVDBMIGSSA-N
XLogP3.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880705
(2R,3S,6S)-6-[(E)-but-2-enoxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10852786
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 171122774
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221
(3-benzoyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl)methyl benzoate
CID 12897407
[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] benzoate
CID 24814897
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate?
The IUPAC name of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate (CID 10832617) is [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate.
What is the SMILES notation for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate?
The canonical SMILES for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)C=C[C@@H]1O.
What is the InChIKey of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate?
The InChIKey is ZDBVKVIKEDHWPA-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)22-13-16-15(20)11-12-17(23-16)24-18(21)14-9-7-6-8-10-14/h6-12,15-17,20H,13H2,1-5H3/t15-,16+,17+/m0/s1.
What are the key properties of [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate?
[(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate has a molecular weight of 364.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl] benzoate is sourced from PubChem (CID 10832617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).