(E)-5-hydroxy-4-oxohex-2-enoic acid

C6H8O4 — CID 134350395

IUPAC(E)-5-hydroxy-4-oxohex-2-enoic acid
SMILESCC(O)C(=O)/C=C/C(=O)O
InChIInChI=1S/C6H8O4/c1-4(7)5(8)2-3-6(9)10/h2-4,7H,1H3,(H,9,10)/b3-2+
InChIKeyWJXCBIWSRLWPRM-NSCUHMNNSA-N
MW144.13 g/mol
LogP-0.42
Rot. Bonds3

About (E)-5-hydroxy-4-oxohex-2-enoic acid

(E)-5-hydroxy-4-oxohex-2-enoic acid (PubChem CID 134350395) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (E)-5-hydroxy-4-oxohex-2-enoic acid.

Molecular Properties

Compound Name(E)-5-hydroxy-4-oxohex-2-enoic acid
PubChem CID134350395
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(E)-5-hydroxy-4-oxohex-2-enoic acid
SMILESCC(O)C(=O)/C=C/C(=O)O
InChIInChI=1S/C6H8O4/c1-4(7)5(8)2-3-6(9)10/h2-4,7H,1H3,(H,9,10)/b3-2+
InChIKeyWJXCBIWSRLWPRM-NSCUHMNNSA-N
XLogP-0.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
5-amino-6-hydroxy-4-oxohept-2-enoic acid
CID 173433315
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
but-2-enedioic acid;propane-1,2-diol
CID 71366935
4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542
(Z)-but-2-enedioic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropanedioic acid;2-hydroxypropanoic acid
CID 173180589
(Z)-4-[di(propan-2-yl)amino]-4-oxobut-2-enoic acid
CID 139663105
butanedioic acid;(Z)-but-2-enedioic acid;2-hydroxypropanoic acid;propanedioic acid
CID 173365167
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-4-oxohex-2-enoic acid?
The IUPAC name of (E)-5-hydroxy-4-oxohex-2-enoic acid (CID 134350395) is (E)-5-hydroxy-4-oxohex-2-enoic acid.
What is the SMILES notation for (E)-5-hydroxy-4-oxohex-2-enoic acid?
The canonical SMILES for (E)-5-hydroxy-4-oxohex-2-enoic acid is CC(O)C(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-5-hydroxy-4-oxohex-2-enoic acid?
The InChIKey is WJXCBIWSRLWPRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(7)5(8)2-3-6(9)10/h2-4,7H,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-5-hydroxy-4-oxohex-2-enoic acid?
(E)-5-hydroxy-4-oxohex-2-enoic acid has a molecular weight of 144.13 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-4-oxohex-2-enoic acid is sourced from PubChem (CID 134350395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).