[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate

C10H12O6 — CID 11593796

IUPAC[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(=O)C(OC(C)=O)=CO1
InChIInChI=1S/C10H12O6/c1-6(11)14-4-8-3-9(13)10(5-15-8)16-7(2)12/h5,8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyZAHGOTQUKKNVHC-QMMMGPOBSA-N
MW228.20 g/mol
LogP0.31
Rot. Bonds3

About [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate

[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate (PubChem CID 11593796) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
PubChem CID11593796
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(=O)C(OC(C)=O)=CO1
InChIInChI=1S/C10H12O6/c1-6(11)14-4-8-3-9(13)10(5-15-8)16-7(2)12/h5,8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyZAHGOTQUKKNVHC-QMMMGPOBSA-N
XLogP0.31
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The IUPAC name of [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate (CID 11593796) is [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The canonical SMILES for [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate is CC(=O)OC[C@@H]1CC(=O)C(OC(C)=O)=CO1.
What is the InChIKey of [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The InChIKey is ZAHGOTQUKKNVHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(11)14-4-8-3-9(13)10(5-15-8)16-7(2)12/h5,8H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate?
[(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate has a molecular weight of 228.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate is sourced from PubChem (CID 11593796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).