(Z)-2-hydroxy-4-oxooct-2-enedioic acid

C8H10O6 — CID 10655707

IUPAC(Z)-2-hydroxy-4-oxooct-2-enedioic acid
SMILESO=C(O)CCCC(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C8H10O6/c9-5(2-1-3-7(11)12)4-6(10)8(13)14/h4,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-
InChIKeyWPTSUOSGGVTRGY-XQRVVYSFSA-N
MW202.16 g/mol
LogP0.34
Rot. Bonds6

About (Z)-2-hydroxy-4-oxooct-2-enedioic acid

(Z)-2-hydroxy-4-oxooct-2-enedioic acid (PubChem CID 10655707) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (Z)-2-hydroxy-4-oxooct-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-4-oxooct-2-enedioic acid
PubChem CID10655707
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(Z)-2-hydroxy-4-oxooct-2-enedioic acid
SMILESO=C(O)CCCC(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C8H10O6/c9-5(2-1-3-7(11)12)4-6(10)8(13)14/h4,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-
InChIKeyWPTSUOSGGVTRGY-XQRVVYSFSA-N
XLogP0.34
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-4-oxooct-2-enedioic acid?
The IUPAC name of (Z)-2-hydroxy-4-oxooct-2-enedioic acid (CID 10655707) is (Z)-2-hydroxy-4-oxooct-2-enedioic acid.
What is the SMILES notation for (Z)-2-hydroxy-4-oxooct-2-enedioic acid?
The canonical SMILES for (Z)-2-hydroxy-4-oxooct-2-enedioic acid is O=C(O)CCCC(=O)/C=C(\O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxy-4-oxooct-2-enedioic acid?
The InChIKey is WPTSUOSGGVTRGY-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H10O6/c9-5(2-1-3-7(11)12)4-6(10)8(13)14/h4,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-.
What are the key properties of (Z)-2-hydroxy-4-oxooct-2-enedioic acid?
(Z)-2-hydroxy-4-oxooct-2-enedioic acid has a molecular weight of 202.16 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-4-oxooct-2-enedioic acid is sourced from PubChem (CID 10655707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).