(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate

C12H16O5 — CID 73083558

IUPAC(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
SMILESCCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3
InChIKeyWLSDLBZHCOHBHX-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.16
Rot. Bonds4

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

(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate (PubChem CID 73083558) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
PubChem CID73083558
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
SMILESCCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3
InChIKeyWLSDLBZHCOHBHX-UHFFFAOYSA-N
XLogP1.16
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate (CID 73083558) is (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate is CCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The InChIKey is WLSDLBZHCOHBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3.
What are the key properties of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate has a molecular weight of 240.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 73083558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).