2-hydroxy-6-oxohepta-2,4-dienoic acid

C7H8O4 — CID 69

IUPAC2-hydroxy-6-oxohepta-2,4-dienoic acid
SMILESCC(=O)C=CC=C(O)C(=O)O
InChIInChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyHVZGWILTESYJSP-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.66
Rot. Bonds3

About 2-hydroxy-6-oxohepta-2,4-dienoic acid

2-hydroxy-6-oxohepta-2,4-dienoic acid (PubChem CID 69) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-hydroxy-6-oxohepta-2,4-dienoic acid.

Molecular Properties

Compound Name2-hydroxy-6-oxohepta-2,4-dienoic acid
PubChem CID69
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-hydroxy-6-oxohepta-2,4-dienoic acid
SMILESCC(=O)C=CC=C(O)C(=O)O
InChIInChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyHVZGWILTESYJSP-UHFFFAOYSA-N
XLogP0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxohepta-2,4-dienoic acid?
The IUPAC name of 2-hydroxy-6-oxohepta-2,4-dienoic acid (CID 69) is 2-hydroxy-6-oxohepta-2,4-dienoic acid.
What is the SMILES notation for 2-hydroxy-6-oxohepta-2,4-dienoic acid?
The canonical SMILES for 2-hydroxy-6-oxohepta-2,4-dienoic acid is CC(=O)C=CC=C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-6-oxohepta-2,4-dienoic acid?
The InChIKey is HVZGWILTESYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-6-oxohepta-2,4-dienoic acid?
2-hydroxy-6-oxohepta-2,4-dienoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxohepta-2,4-dienoic acid is sourced from PubChem (CID 69), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).