[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C16H28O6Si — CID 10450206

IUPAC[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O6Si/c1-11(17)20-10-14-15(22-23(6,7)16(3,4)5)13(8-9-19-14)21-12(2)18/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyHNGRZOMGRUSAGH-KFWWJZLASA-N
MW344.48 g/mol
LogP2.78
Rot. Bonds5

About [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 10450206) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID10450206
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O6Si/c1-11(17)20-10-14-15(22-23(6,7)16(3,4)5)13(8-9-19-14)21-12(2)18/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyHNGRZOMGRUSAGH-KFWWJZLASA-N
XLogP2.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-acetyl-D-glucal
CID 688303
2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
CID 640125
3,4,6-Tri-O-acetylglucal
CID 102891
[(3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 68047430
[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
[(3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 24802551
3,4,6-Tri-O-acetyl-D-allal
CID 6541373
3,4,6-Tri-O-acetyl-L-glucal
CID 6932564
[(3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 11821739
[(3R,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 89985899
[(2R,3S,4R)-3,4-bis[(2-deuterioacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-deuterioacetate
CID 91494706

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 10450206) is [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is HNGRZOMGRUSAGH-KFWWJZLASA-N. The full InChI is InChI=1S/C16H28O6Si/c1-11(17)20-10-14-15(22-23(6,7)16(3,4)5)13(8-9-19-14)21-12(2)18/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1.
What are the key properties of [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 344.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 10450206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).