(5-acetyloxy-6-oxopyran-2-yl)methyl acetate

C10H10O6 — CID 11264614

IUPAC(5-acetyloxy-6-oxopyran-2-yl)methyl acetate
SMILESCC(=O)OCc1ccc(OC(C)=O)c(=O)o1
InChIInChI=1S/C10H10O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h3-4H,5H2,1-2H3
InChIKeyYSZOMMGPYJHPCT-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.63
Rot. Bonds3

About (5-acetyloxy-6-oxopyran-2-yl)methyl acetate

(5-acetyloxy-6-oxopyran-2-yl)methyl acetate (PubChem CID 11264614) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is (5-acetyloxy-6-oxopyran-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetyloxy-6-oxopyran-2-yl)methyl acetate
PubChem CID11264614
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name(5-acetyloxy-6-oxopyran-2-yl)methyl acetate
SMILESCC(=O)OCc1ccc(OC(C)=O)c(=O)o1
InChIInChI=1S/C10H10O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h3-4H,5H2,1-2H3
InChIKeyYSZOMMGPYJHPCT-UHFFFAOYSA-N
XLogP0.63
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-acetyloxy-6-oxopyran-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-6-oxopyran-2-yl)methyl acetate?
The IUPAC name of (5-acetyloxy-6-oxopyran-2-yl)methyl acetate (CID 11264614) is (5-acetyloxy-6-oxopyran-2-yl)methyl acetate.
What is the SMILES notation for (5-acetyloxy-6-oxopyran-2-yl)methyl acetate?
The canonical SMILES for (5-acetyloxy-6-oxopyran-2-yl)methyl acetate is CC(=O)OCc1ccc(OC(C)=O)c(=O)o1.
What is the InChIKey of (5-acetyloxy-6-oxopyran-2-yl)methyl acetate?
The InChIKey is YSZOMMGPYJHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h3-4H,5H2,1-2H3.
What are the key properties of (5-acetyloxy-6-oxopyran-2-yl)methyl acetate?
(5-acetyloxy-6-oxopyran-2-yl)methyl acetate has a molecular weight of 226.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-6-oxopyran-2-yl)methyl acetate is sourced from PubChem (CID 11264614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).