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

C17H32O4Si — CID 10664075

IUPACtert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-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/C17H32O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h8,10-11,14-16H,1,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyHSKJUDWVKHXTOS-XHSDSOJGSA-N
MW328.53 g/mol
LogP3.90
Rot. Bonds8

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

tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 10664075) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID10664075
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nametert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-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/C17H32O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h8,10-11,14-16H,1,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyHSKJUDWVKHXTOS-XHSDSOJGSA-N
XLogP3.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.90
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'}

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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 11199420
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 101685938

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 10664075) is tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-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-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-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-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is HSKJUDWVKHXTOS-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-12-19-14-10-11-16(18-9-2)21-15(14)13-20-22(6,7)17(3,4)5/h8,10-11,14-16H,1,9,12-13H2,2-7H3/t14-,15+,16-/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 3.90, 8 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-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10664075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).