5-oxohexanoic acid;2-oxopentanedioic acid

C11H16O8 — CID 158756132

IUPAC5-oxohexanoic acid;2-oxopentanedioic acid
SMILESCC(=O)CCCC(=O)O.O=C(O)CCC(=O)C(=O)O
InChIInChI=1S/C6H10O3.C5H6O5/c1-5(7)3-2-4-6(8)9;6-3(5(9)10)1-2-4(7)8/h2-4H2,1H3,(H,8,9);1-2H2,(H,7,8)(H,9,10)
InChIKeyIOCHIPQOOCWSKW-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.34
Rot. Bonds8

About 5-oxohexanoic acid;2-oxopentanedioic acid

5-oxohexanoic acid;2-oxopentanedioic acid (PubChem CID 158756132) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-oxohexanoic acid;2-oxopentanedioic acid.

Molecular Properties

Compound Name5-oxohexanoic acid;2-oxopentanedioic acid
PubChem CID158756132
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name5-oxohexanoic acid;2-oxopentanedioic acid
SMILESCC(=O)CCCC(=O)O.O=C(O)CCC(=O)C(=O)O
InChIInChI=1S/C6H10O3.C5H6O5/c1-5(7)3-2-4-6(8)9;6-3(5(9)10)1-2-4(7)8/h2-4H2,1H3,(H,8,9);1-2H2,(H,7,8)(H,9,10)
InChIKeyIOCHIPQOOCWSKW-UHFFFAOYSA-N
XLogP0.34
TPSA146.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;2-oxopentanedioic acid
CID 87572846
CID 87242342
CID 87242342
lanthanum;2-oxopentanedioic acid
CID 174979483
2-oxopentanedioic acid;propanoic acid
CID 159621051
magnesium;hydride;2-oxopentanedioic acid
CID 173080556
2,4,8-trioxononanoic acid
CID 89306169
2-oxotridecanedioic acid
CID 57104850
2-oxononadecanedioic acid
CID 19882771
4-oxopentanoic acid;zinc
CID 87190982
4,9-dioxodecanoic acid
CID 87255764
dicalcium;hydride;bis(4-oxopentanoic acid)
CID 174942614
acetamide;pentanedioic acid
CID 160895913

Frequently Asked Questions

What is the IUPAC name of 5-oxohexanoic acid;2-oxopentanedioic acid?
The IUPAC name of 5-oxohexanoic acid;2-oxopentanedioic acid (CID 158756132) is 5-oxohexanoic acid;2-oxopentanedioic acid.
What is the SMILES notation for 5-oxohexanoic acid;2-oxopentanedioic acid?
The canonical SMILES for 5-oxohexanoic acid;2-oxopentanedioic acid is CC(=O)CCCC(=O)O.O=C(O)CCC(=O)C(=O)O.
What is the InChIKey of 5-oxohexanoic acid;2-oxopentanedioic acid?
The InChIKey is IOCHIPQOOCWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H6O5/c1-5(7)3-2-4-6(8)9;6-3(5(9)10)1-2-4(7)8/h2-4H2,1H3,(H,8,9);1-2H2,(H,7,8)(H,9,10).
What are the key properties of 5-oxohexanoic acid;2-oxopentanedioic acid?
5-oxohexanoic acid;2-oxopentanedioic acid has a molecular weight of 276.24 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxohexanoic acid;2-oxopentanedioic acid is sourced from PubChem (CID 158756132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).