4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

C11H12O3 — CID 75528792

IUPAC4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC/C=C/C=C/c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C11H12O3/c1-3-4-5-6-9-7-10(12)8(2)11(13)14-9/h3-7,12H,1-2H3/b4-3+,6-5+
InChIKeyDKFDHEIJBWLTAO-VNKDHWASSA-N
MW192.21 g/mol
LogP2.24
Rot. Bonds2

About 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (PubChem CID 75528792) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
PubChem CID75528792
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC/C=C/C=C/c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C11H12O3/c1-3-4-5-6-9-7-10(12)8(2)11(13)14-9/h3-7,12H,1-2H3/b4-3+,6-5+
InChIKeyDKFDHEIJBWLTAO-VNKDHWASSA-N
XLogP2.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The IUPAC name of 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (CID 75528792) is 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is C/C=C/C=C/c1cc(O)c(C)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The InChIKey is DKFDHEIJBWLTAO-VNKDHWASSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-5-6-9-7-10(12)8(2)11(13)14-9/h3-7,12H,1-2H3/b4-3+,6-5+.
What are the key properties of 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is sourced from PubChem (CID 75528792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).