[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C16H24O5Si — CID 101256996

IUPAC[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](C#CC[Si](C)(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O5Si/c1-12(17)19-11-16-15(20-13(2)18)9-8-14(21-16)7-6-10-22(3,4)5/h8-9,14-16H,10-11H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyAUXNWCMPKRQBOP-OWCLPIDISA-N
MW324.45 g/mol
LogP2.15
Rot. Bonds4

About [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 101256996) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID101256996
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](C#CC[Si](C)(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O5Si/c1-12(17)19-11-16-15(20-13(2)18)9-8-14(21-16)7-6-10-22(3,4)5/h8-9,14-16H,10-11H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyAUXNWCMPKRQBOP-OWCLPIDISA-N
XLogP2.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.15
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,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)-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-(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
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
[(2R,3S,6S)-3-acetyloxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10999044
[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11333889
[(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
[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate
CID 25210043

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 101256996) is [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](C#CC[Si](C)(C)C)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is AUXNWCMPKRQBOP-OWCLPIDISA-N. The full InChI is InChI=1S/C16H24O5Si/c1-12(17)19-11-16-15(20-13(2)18)9-8-14(21-16)7-6-10-22(3,4)5/h8-9,14-16H,10-11H2,1-5H3/t14-,15+,16-/m1/s1.
What are the key properties of [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 324.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-acetyloxy-6-(3-trimethylsilylprop-1-ynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 101256996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).