4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one

C11H12O4 — CID 162815294

IUPAC4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one
SMILESCc1c(O)cc(C=CC=CCO)oc1=O
InChIInChI=1S/C11H12O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h2-5,7,12-13H,6H2,1H3
InChIKeyWFMDIXFEJCSMIL-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.22
Rot. Bonds3

About 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one

4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one (PubChem CID 162815294) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one
PubChem CID162815294
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one
SMILESCc1c(O)cc(C=CC=CCO)oc1=O
InChIInChI=1S/C11H12O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h2-5,7,12-13H,6H2,1H3
InChIKeyWFMDIXFEJCSMIL-UHFFFAOYSA-N
XLogP1.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(1E,3E,5E,7E)-8-(3-chloro-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-4-hydroxy-3-methylpyran-2-one
CID 54728748
6-[(2R)-butan-2-yl]-4-hydroxy-3-methylpyran-2-one
CID 131849055
3,4-dimethyl-6-(2-methylprop-1-enyl)pyran-2-one
CID 11679905
6-[(2S,3R,4S,5E,7Z,10E)-3,13-dihydroxy-4,8-dimethyltrideca-5,7,10-trien-2-yl]-4-hydroxy-3-methylpyran-2-one
CID 156582795
(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
4-hydroxy-3-methyl-6-[(2R)-16-methyl-3-oxoheptadecan-2-yl]pyran-2-one
CID 169492150
4-methoxy-3-methyl-6-[(1E,3E)-3-methyl-5-oxohexa-1,3-dienyl]pyran-2-one
CID 53483953
(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol
CID 151382014
3-(4,5-dimethylfuran-2-yl)prop-2-enoic acid
CID 53401722
4-hydroxy-6-(6-hydroxy-5-methylheptyl)-3-methylpyran-2-one
CID 163041381
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
CID 135399133
6-[7-[2-(3-hydroxyprop-1-enyl)-4-methylphenyl]-3-methylhepta-2,4,6-trienyl]-4-methoxy-3,5-dimethylpyran-2-one
CID 85045718

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one (CID 162815294) is 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one is Cc1c(O)cc(C=CC=CCO)oc1=O.
What is the InChIKey of 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one?
The InChIKey is WFMDIXFEJCSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h2-5,7,12-13H,6H2,1H3.
What are the key properties of 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one?
4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one has a molecular weight of 208.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(5-hydroxypenta-1,3-dienyl)-3-methylpyran-2-one is sourced from PubChem (CID 162815294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).