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

C9H10O5 — CID 10954514

IUPAC(5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(=O)C1OC(C)=O
InChIInChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4,8-9H,1-2H3
InChIKeyRNXZNMPLMJEDRQ-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.01
Rot. Bonds2

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

(5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate (PubChem CID 10954514) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate
PubChem CID10954514
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(=O)C1OC(C)=O
InChIInChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4,8-9H,1-2H3
InChIKeyRNXZNMPLMJEDRQ-UHFFFAOYSA-N
XLogP-0.01
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate (CID 10954514) is (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate is CC(=O)OC1C=CC(=O)C1OC(C)=O.
What is the InChIKey of (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate?
The InChIKey is RNXZNMPLMJEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4,8-9H,1-2H3.
What are the key properties of (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate?
(5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate has a molecular weight of 198.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-4-oxocyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 10954514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).