tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C17H30O4Si — CID 10520213

IUPACtert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#CCO[C@H]1C=C[C@@H](OCC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h1,10-11,14-16H,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyUOGNJDPCBLQEPJ-XHSDSOJGSA-N
MW326.51 g/mol
LogP3.34
Rot. Bonds7

About tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 10520213) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID10520213
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#CCO[C@H]1C=C[C@@H](OCC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h1,10-11,14-16H,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyUOGNJDPCBLQEPJ-XHSDSOJGSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 10520213) is tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is C#CCO[C@H]1C=C[C@@H](OCC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is UOGNJDPCBLQEPJ-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h1,10-11,14-16H,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 326.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10520213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).