4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde

C7H6O4 — CID 135399133

IUPAC4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
SMILESCc1cc(O)c(C=O)c(=O)o1
InChIInChI=1S/C7H6O4/c1-4-2-6(9)5(3-8)7(10)11-4/h2-3,9H,1H3
InChIKeyUGLYFFABDOFDEG-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde

4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde (PubChem CID 135399133) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
PubChem CID135399133
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
SMILESCc1cc(O)c(C=O)c(=O)o1
InChIInChI=1S/C7H6O4/c1-4-2-6(9)5(3-8)7(10)11-4/h2-3,9H,1H3
InChIKeyUGLYFFABDOFDEG-UHFFFAOYSA-N
XLogP0.47
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde?
The IUPAC name of 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde (CID 135399133) is 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde is Cc1cc(O)c(C=O)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde?
The InChIKey is UGLYFFABDOFDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4-2-6(9)5(3-8)7(10)11-4/h2-3,9H,1H3.
What are the key properties of 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde?
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde has a molecular weight of 154.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde is sourced from PubChem (CID 135399133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).