4-propan-2-yloxycyclopent-4-ene-1,3-dione

C8H10O3 — CID 118491353

IUPAC4-propan-2-yloxycyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=CC(=O)CC1=O
InChIInChI=1S/C8H10O3/c1-5(2)11-8-4-6(9)3-7(8)10/h4-5H,3H2,1-2H3
InChIKeyOZLWLGHYHUBYRZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds2

About 4-propan-2-yloxycyclopent-4-ene-1,3-dione

4-propan-2-yloxycyclopent-4-ene-1,3-dione (PubChem CID 118491353) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-propan-2-yloxycyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-propan-2-yloxycyclopent-4-ene-1,3-dione
PubChem CID118491353
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-propan-2-yloxycyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=CC(=O)CC1=O
InChIInChI=1S/C8H10O3/c1-5(2)11-8-4-6(9)3-7(8)10/h4-5H,3H2,1-2H3
InChIKeyOZLWLGHYHUBYRZ-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxycyclopent-4-ene-1,3-dione?
The IUPAC name of 4-propan-2-yloxycyclopent-4-ene-1,3-dione (CID 118491353) is 4-propan-2-yloxycyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-propan-2-yloxycyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-propan-2-yloxycyclopent-4-ene-1,3-dione is CC(C)OC1=CC(=O)CC1=O.
What is the InChIKey of 4-propan-2-yloxycyclopent-4-ene-1,3-dione?
The InChIKey is OZLWLGHYHUBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)11-8-4-6(9)3-7(8)10/h4-5H,3H2,1-2H3.
What are the key properties of 4-propan-2-yloxycyclopent-4-ene-1,3-dione?
4-propan-2-yloxycyclopent-4-ene-1,3-dione has a molecular weight of 154.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxycyclopent-4-ene-1,3-dione is sourced from PubChem (CID 118491353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).