(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate

C11H14O6 — CID 67724923

IUPAC(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate
SMILESCOC1C(=O)C=CC1(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)16-6-11(17-8(2)13)5-4-9(14)10(11)15-3/h4-5,10H,6H2,1-3H3
InChIKeyBJNDIAMCTWUTQB-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.01
Rot. Bonds4

About (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate

(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate (PubChem CID 67724923) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate.

Molecular Properties

Compound Name(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate
PubChem CID67724923
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate
SMILESCOC1C(=O)C=CC1(COC(C)=O)OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)16-6-11(17-8(2)13)5-4-9(14)10(11)15-3/h4-5,10H,6H2,1-3H3
InChIKeyBJNDIAMCTWUTQB-UHFFFAOYSA-N
XLogP0.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-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 (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate?
The IUPAC name of (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate (CID 67724923) is (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate.
What is the SMILES notation for (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate?
The canonical SMILES for (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate is COC1C(=O)C=CC1(COC(C)=O)OC(C)=O.
What is the InChIKey of (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate?
The InChIKey is BJNDIAMCTWUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-7(12)16-6-11(17-8(2)13)5-4-9(14)10(11)15-3/h4-5,10H,6H2,1-3H3.
What are the key properties of (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate?
(1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate has a molecular weight of 242.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-5-methoxy-4-oxocyclopent-2-en-1-yl)methyl acetate is sourced from PubChem (CID 67724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).