(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate

C7H4O6-2 — CID 25244909

IUPAC(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate
SMILESO=C(O)C(=O)/C=C(\C=C\[O-])C(=O)[O-]
InChIInChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+
InChIKeyQZWBTDVXBPUISR-MVJNYCIBSA-L
MW184.10 g/mol
LogP-2.81
Rot. Bonds4

About (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate

(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate (PubChem CID 25244909) has the molecular formula C7H4O6-2 and a molecular weight of 184.10 g/mol. Its IUPAC name is (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate.

Molecular Properties

Compound Name(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate
PubChem CID25244909
Molecular FormulaC7H4O6-2
Molecular Weight184.10 g/mol
Exact Mass184.00
IUPAC Name(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate
SMILESO=C(O)C(=O)/C=C(\C=C\[O-])C(=O)[O-]
InChIInChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+
InChIKeyQZWBTDVXBPUISR-MVJNYCIBSA-L
XLogP-2.81
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Puberulic Acid
CID 592860
2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-
CID 36590
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoate
CID 91825648
2-Hydroxymuconic semialdehyde
CID 5280366
4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
CID 5280688
4-Carboxy-2-hydroxy-cis,cis-muconic acid
CID 54675766
5-Formyl-2-hydroxyhepta-2,4-dienedioate
CID 25246117
(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoate
CID 70678568
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
CID 25021175
(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
CID 18639
(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
CID 54692812
2-Hydroxy-6-oxohexa-2,4-dienoic acid
CID 70678534

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate?
The IUPAC name of (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate (CID 25244909) is (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate.
What is the SMILES notation for (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate?
The canonical SMILES for (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate is O=C(O)C(=O)/C=C(\C=C\[O-])C(=O)[O-].
What is the InChIKey of (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate?
The InChIKey is QZWBTDVXBPUISR-MVJNYCIBSA-L. The full InChI is InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+.
What are the key properties of (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate?
(E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate has a molecular weight of 184.10 g/mol, XLogP of -2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-[(E)-2-oxidoethenyl]-4,5-dioxopent-2-enoate is sourced from PubChem (CID 25244909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).