[(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate

C12H16O5 — CID 11746725

IUPAC[(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate
SMILESCCCC1=CC(=O)[C@H](OC(C)=O)[C@H]1OC(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/t11-,12-/m0/s1
InChIKeyWLSDLBZHCOHBHX-RYUDHWBXSA-N
MW240.25 g/mol
LogP1.16
Rot. Bonds4

About [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate

[(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate (PubChem CID 11746725) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate
PubChem CID11746725
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate
SMILESCCCC1=CC(=O)[C@H](OC(C)=O)[C@H]1OC(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/t11-,12-/m0/s1
InChIKeyWLSDLBZHCOHBHX-RYUDHWBXSA-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

Analyze [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] 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 [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate (CID 11746725) is [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate is CCCC1=CC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate?
The InChIKey is WLSDLBZHCOHBHX-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate?
[(1S,5R)-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 [(1S,5R)-5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).