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

C10H12O6 — CID 73023194

IUPAC(5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate
SMILESCC(=O)OCC1CC(=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
InChIKeyZAHGOTQUKKNVHC-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.31
Rot. Bonds3

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

(5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate (PubChem CID 73023194) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate
PubChem CID73023194
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate
SMILESCC(=O)OCC1CC(=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
InChIKeyZAHGOTQUKKNVHC-UHFFFAOYSA-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 (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate?
The IUPAC name of (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate (CID 73023194) is (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate.
What is the SMILES notation for (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate?
The canonical SMILES for (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate is CC(=O)OCC1CC(=O)C(OC(C)=O)=CO1.
What is the InChIKey of (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate?
The InChIKey is ZAHGOTQUKKNVHC-UHFFFAOYSA-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.
What are the key properties of (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate?
(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 (5-acetyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl acetate is sourced from PubChem (CID 73023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).