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

C18H30O4Si — CID 10521008

IUPACtert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
SMILESC#CCO[C@H]1C=C[C@@H](OCC=C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1,9-11,15-17H,2,12-14H2,3-7H3/t15-,16+,17-/m0/s1
InChIKeyIODXPTZXGWWBFY-BBWFWOEESA-N
MW338.52 g/mol
LogP3.51
Rot. Bonds8

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

tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane (PubChem CID 10521008) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
PubChem CID10521008
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
SMILESC#CCO[C@H]1C=C[C@@H](OCC=C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1,9-11,15-17H,2,12-14H2,3-7H3/t15-,16+,17-/m0/s1
InChIKeyIODXPTZXGWWBFY-BBWFWOEESA-N
XLogP3.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.51
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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Launch Full Analysis

Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
(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-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(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
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053
[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526055
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 134972339
tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134972528

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane (CID 10521008) is tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane is C#CCO[C@H]1C=C[C@@H](OCC=C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane?
The InChIKey is IODXPTZXGWWBFY-BBWFWOEESA-N. The full InChI is InChI=1S/C18H30O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1,9-11,15-17H,2,12-14H2,3-7H3/t15-,16+,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane has a molecular weight of 338.52 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane is sourced from PubChem (CID 10521008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).