(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate

C11H14O5 — CID 10176905

IUPAC(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate
SMILESCCC(=O)OC1C=CC(=O)C1OC(=O)CC
InChIInChI=1S/C11H14O5/c1-3-9(13)15-8-6-5-7(12)11(8)16-10(14)4-2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyARHPBHIVBBGSRE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.77
Rot. Bonds4

About (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate

(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate (PubChem CID 10176905) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate.

Molecular Properties

Compound Name(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate
PubChem CID10176905
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate
SMILESCCC(=O)OC1C=CC(=O)C1OC(=O)CC
InChIInChI=1S/C11H14O5/c1-3-9(13)15-8-6-5-7(12)11(8)16-10(14)4-2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyARHPBHIVBBGSRE-UHFFFAOYSA-N
XLogP0.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate?
The IUPAC name of (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate (CID 10176905) is (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate.
What is the SMILES notation for (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate?
The canonical SMILES for (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate is CCC(=O)OC1C=CC(=O)C1OC(=O)CC.
What is the InChIKey of (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate?
The InChIKey is ARHPBHIVBBGSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-9(13)15-8-6-5-7(12)11(8)16-10(14)4-2/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate?
(4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate is sourced from PubChem (CID 10176905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).