methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate

C10H12O5 — CID 14089289

IUPACmethyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate
SMILESCOC(=O)CC1C(=O)C=CC1OC(C)=O
InChIInChI=1S/C10H12O5/c1-6(11)15-9-4-3-8(12)7(9)5-10(13)14-2/h3-4,7,9H,5H2,1-2H3
InChIKeyXNQXOOYZNZNLOO-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.24
Rot. Bonds3

About methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate

methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate (PubChem CID 14089289) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate
PubChem CID14089289
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate
SMILESCOC(=O)CC1C(=O)C=CC1OC(C)=O
InChIInChI=1S/C10H12O5/c1-6(11)15-9-4-3-8(12)7(9)5-10(13)14-2/h3-4,7,9H,5H2,1-2H3
InChIKeyXNQXOOYZNZNLOO-UHFFFAOYSA-N
XLogP0.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate?
The IUPAC name of methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate (CID 14089289) is methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate?
The canonical SMILES for methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate is COC(=O)CC1C(=O)C=CC1OC(C)=O.
What is the InChIKey of methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate?
The InChIKey is XNQXOOYZNZNLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-6(11)15-9-4-3-8(12)7(9)5-10(13)14-2/h3-4,7,9H,5H2,1-2H3.
What are the key properties of methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate?
methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate has a molecular weight of 212.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate is sourced from PubChem (CID 14089289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).