methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate

C9H10O6 — CID 15615367

IUPACmethyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)C=CC(=O)C1OC(C)=O
InChIInChI=1S/C9H10O6/c1-5(10)15-7-6(11)3-4-9(7,13)8(12)14-2/h3-4,7,13H,1-2H3
InChIKeyULHPMUDNDQNZIU-UHFFFAOYSA-N
MW214.17 g/mol
LogP-1.04
Rot. Bonds2

About methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate

methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate (PubChem CID 15615367) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate
PubChem CID15615367
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namemethyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(O)C=CC(=O)C1OC(C)=O
InChIInChI=1S/C9H10O6/c1-5(10)15-7-6(11)3-4-9(7,13)8(12)14-2/h3-4,7,13H,1-2H3
InChIKeyULHPMUDNDQNZIU-UHFFFAOYSA-N
XLogP-1.04
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate 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 methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate (CID 15615367) is methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate is COC(=O)C1(O)C=CC(=O)C1OC(C)=O.
What is the InChIKey of methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate?
The InChIKey is ULHPMUDNDQNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-5(10)15-7-6(11)3-4-9(7,13)8(12)14-2/h3-4,7,13H,1-2H3.
What are the key properties of methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate?
methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate has a molecular weight of 214.17 g/mol, XLogP of -1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyloxy-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 15615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).