4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one

C11H14O4 — CID 163031867

IUPAC4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one
SMILESCc1c(O)cc(C=CCCCO)oc1=O
InChIInChI=1S/C11H14O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h3,5,7,12-13H,2,4,6H2,1H3
InChIKeyKJCJJQPMDJPSQG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.44
Rot. Bonds4

About 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one

4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one (PubChem CID 163031867) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one
PubChem CID163031867
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one
SMILESCc1c(O)cc(C=CCCCO)oc1=O
InChIInChI=1S/C11H14O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h3,5,7,12-13H,2,4,6H2,1H3
InChIKeyKJCJJQPMDJPSQG-UHFFFAOYSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one (CID 163031867) is 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one is Cc1c(O)cc(C=CCCCO)oc1=O.
What is the InChIKey of 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one?
The InChIKey is KJCJJQPMDJPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-10(13)7-9(15-11(8)14)5-3-2-4-6-12/h3,5,7,12-13H,2,4,6H2,1H3.
What are the key properties of 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one?
4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(5-hydroxypent-1-enyl)-3-methylpyran-2-one is sourced from PubChem (CID 163031867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).