2-hydroxy-6-propan-2-yl-2H-pyran-5-one

C8H12O3 — CID 14041217

IUPAC2-hydroxy-6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)C1OC(O)C=CC1=O
InChIInChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3
InChIKeyNELPFHSGUHHZSX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds1

About 2-hydroxy-6-propan-2-yl-2H-pyran-5-one

2-hydroxy-6-propan-2-yl-2H-pyran-5-one (PubChem CID 14041217) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxy-6-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-propan-2-yl-2H-pyran-5-one
PubChem CID14041217
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-hydroxy-6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)C1OC(O)C=CC1=O
InChIInChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3
InChIKeyNELPFHSGUHHZSX-UHFFFAOYSA-N
XLogP0.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-6-propan-2-yl-2H-pyran-5-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 2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-propan-2-yl-2H-pyran-5-one (CID 14041217) is 2-hydroxy-6-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-propan-2-yl-2H-pyran-5-one is CC(C)C1OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The InChIKey is NELPFHSGUHHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3.
What are the key properties of 2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
2-hydroxy-6-propan-2-yl-2H-pyran-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 14041217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).