[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C17H30O5Si — CID 10854812

IUPAC[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)=O)O1
InChIInChI=1S/C17H30O5Si/c1-8-11-19-16-10-9-14(15(21-16)12-20-13(2)18)22-23(6,7)17(3,4)5/h8-10,14-16H,1,11-12H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyVDKMJCQQGIORGS-XHSDSOJGSA-N
MW342.51 g/mol
LogP3.42
Rot. Bonds7

About [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 10854812) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID10854812
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)=O)O1
InChIInChI=1S/C17H30O5Si/c1-8-11-19-16-10-9-14(15(21-16)12-20-13(2)18)22-23(6,7)17(3,4)5/h8-10,14-16H,1,11-12H2,2-7H3/t14-,15+,16-/m0/s1
InChIKeyVDKMJCQQGIORGS-XHSDSOJGSA-N
XLogP3.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
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

Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
(3-acetyloxy-6-propoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 135015555
[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate
CID 15403703
((2R,3S,6S)-3-acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 11425066
tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11196496
[(2R,3S)-3-acetyloxy-6-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11460356

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 10854812) is [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is VDKMJCQQGIORGS-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-8-11-19-16-10-9-14(15(21-16)12-20-13(2)18)22-23(6,7)17(3,4)5/h8-10,14-16H,1,11-12H2,2-7H3/t14-,15+,16-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 342.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 10854812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).