[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate

C12H18O3Si — CID 11333889

IUPAC[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](C#C[Si](C)(C)C)OC1
InChIInChI=1S/C12H18O3Si/c1-10(13)15-12-6-5-11(14-9-12)7-8-16(2,3)4/h5-6,11-12H,9H2,1-4H3/t11-,12+/m1/s1
InChIKeyDNHDXQLREQGMAW-NEPJUHHUSA-N
MW238.36 g/mol
LogP1.75
Rot. Bonds1

About [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate

[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 11333889) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID11333889
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@H](C#C[Si](C)(C)C)OC1
InChIInChI=1S/C12H18O3Si/c1-10(13)15-12-6-5-11(14-9-12)7-8-16(2,3)4/h5-6,11-12H,9H2,1-4H3/t11-,12+/m1/s1
InChIKeyDNHDXQLREQGMAW-NEPJUHHUSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
[(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11148513
[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11206603
[(2R,3S,6S)-3-acetyloxy-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11350347
(2S,3S)-2-[(E)-prop-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
CID 100929418
[(2R,3R,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 100964182
[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101256996
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102355754
[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134849284
[(2S,3R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134901154

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate (CID 11333889) is [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@H]1C=C[C@H](C#C[Si](C)(C)C)OC1.
What is the InChIKey of [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is DNHDXQLREQGMAW-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-10(13)15-12-6-5-11(14-9-12)7-8-16(2,3)4/h5-6,11-12H,9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate?
[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 238.36 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 11333889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).