[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C17H24O7Si — CID 138982870

IUPAC[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(C#C[Si](C)(C)C)C=C(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O7Si/c1-11(18)21-10-16-17(23-13(3)20)15(22-12(2)19)9-14(24-16)7-8-25(4,5)6/h9,14,16-17H,10H2,1-6H3/t14?,16?,17-/m0/s1
InChIKeyHZEJRUBCRWSVJU-PREGVCBESA-N
MW368.46 g/mol
LogP1.58
Rot. Bonds4

About [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 138982870) has the molecular formula C17H24O7Si and a molecular weight of 368.46 g/mol. Its IUPAC name is [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID138982870
Molecular FormulaC17H24O7Si
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(C#C[Si](C)(C)C)C=C(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O7Si/c1-11(18)21-10-16-17(23-13(3)20)15(22-12(2)19)9-14(24-16)7-8-25(4,5)6/h9,14,16-17H,10H2,1-6H3/t14?,16?,17-/m0/s1
InChIKeyHZEJRUBCRWSVJU-PREGVCBESA-N
XLogP1.58
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(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
[(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
[(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,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573501
[(2R,3R,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573502
[(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
[(3S,6S)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 134931056

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 138982870) is [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OCC1OC(C#C[Si](C)(C)C)C=C(OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is HZEJRUBCRWSVJU-PREGVCBESA-N. The full InChI is InChI=1S/C17H24O7Si/c1-11(18)21-10-16-17(23-13(3)20)15(22-12(2)19)9-14(24-16)7-8-25(4,5)6/h9,14,16-17H,10H2,1-6H3/t14?,16?,17-/m0/s1.
What are the key properties of [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 368.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-diacetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 138982870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).