4-hydroxy-6-(2-oxopentyl)pyran-2-one

C10H12O4 — CID 54686807

IUPAC4-hydroxy-6-(2-oxopentyl)pyran-2-one
SMILESCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C10H12O4/c1-2-3-7(11)4-9-5-8(12)6-10(13)14-9/h5-6,12H,2-4H2,1H3
InChIKeyJZJCWQKETIWUAK-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.26
Rot. Bonds4

About 4-hydroxy-6-(2-oxopentyl)pyran-2-one

4-hydroxy-6-(2-oxopentyl)pyran-2-one (PubChem CID 54686807) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-hydroxy-6-(2-oxopentyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-oxopentyl)pyran-2-one
PubChem CID54686807
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-hydroxy-6-(2-oxopentyl)pyran-2-one
SMILESCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C10H12O4/c1-2-3-7(11)4-9-5-8(12)6-10(13)14-9/h5-6,12H,2-4H2,1H3
InChIKeyJZJCWQKETIWUAK-UHFFFAOYSA-N
XLogP1.26
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-(2-oxopentyl)pyran-2-one 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 4-hydroxy-6-(2-oxopentyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-oxopentyl)pyran-2-one (CID 54686807) is 4-hydroxy-6-(2-oxopentyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-oxopentyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-oxopentyl)pyran-2-one is CCCC(=O)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-oxopentyl)pyran-2-one?
The InChIKey is JZJCWQKETIWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-3-7(11)4-9-5-8(12)6-10(13)14-9/h5-6,12H,2-4H2,1H3.
What are the key properties of 4-hydroxy-6-(2-oxopentyl)pyran-2-one?
4-hydroxy-6-(2-oxopentyl)pyran-2-one has a molecular weight of 196.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-oxopentyl)pyran-2-one is sourced from PubChem (CID 54686807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).