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

C15H22O5Si — CID 134849284

IUPAC[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](C#C[Si](C)(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C15H22O5Si/c1-11(16)18-10-15-14(19-12(2)17)7-6-13(20-15)8-9-21(3,4)5/h6-7,13-15H,10H2,1-5H3/t13-,14+,15-/m1/s1
InChIKeySIRKJZATISCRQO-QLFBSQMISA-N
MW310.42 g/mol
LogP1.69
Rot. Bonds3

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

[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 134849284) has the molecular formula C15H22O5Si and a molecular weight of 310.42 g/mol. Its IUPAC name is [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID134849284
Molecular FormulaC15H22O5Si
Molecular Weight310.42 g/mol
Exact Mass310.12
IUPAC Name[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](C#C[Si](C)(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C15H22O5Si/c1-11(16)18-10-15-14(19-12(2)17)7-6-13(20-15)8-9-21(3,4)5/h6-7,13-15H,10H2,1-5H3/t13-,14+,15-/m1/s1
InChIKeySIRKJZATISCRQO-QLFBSQMISA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.69
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3-acetyloxy-6-hex-1-ynyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 16758832
[(2R,3S,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
[(2R,3S,6S)-3-acetyloxy-6-oct-1-ynyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 23786340
(3-acetyloxy-6-oct-1-ynyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 16759101
[(2R,3R,6S)-3-acetyloxy-6-propa-1,2-dienyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 21597506
[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101175371
[(2R,3R)-3-acetyloxy-6-prop-1-ynyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134854533
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
(3-acetyloxy-6-methyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14762623
[(2R,3S)-3-acetyloxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 14762624
[3-acetyloxy-6-(3,3-dimethylbut-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758836
[(2R,3R,6S)-3-acetyloxy-6-(3,3-dimethylbut-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 49858765

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 134849284) is [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](C#C[Si](C)(C)C)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is SIRKJZATISCRQO-QLFBSQMISA-N. The full InChI is InChI=1S/C15H22O5Si/c1-11(16)18-10-15-14(19-12(2)17)7-6-13(20-15)8-9-21(3,4)5/h6-7,13-15H,10H2,1-5H3/t13-,14+,15-/m1/s1.
What are the key properties of [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 310.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 134849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).