6-hydroxy-2-oxohexanoic acid

C6H10O4 — CID 6326993

IUPAC6-hydroxy-2-oxohexanoic acid
SMILESO=C(O)C(=O)CCCCO
InChIInChI=1S/C6H10O4/c7-4-2-1-3-5(8)6(9)10/h7H,1-4H2,(H,9,10)
InChIKeyKIKUKXLMZJYPTL-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.20
Rot. Bonds5

About 6-hydroxy-2-oxohexanoic acid

6-hydroxy-2-oxohexanoic acid (PubChem CID 6326993) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 6-hydroxy-2-oxohexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-oxohexanoic acid
PubChem CID6326993
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name6-hydroxy-2-oxohexanoic acid
SMILESO=C(O)C(=O)CCCCO
InChIInChI=1S/C6H10O4/c7-4-2-1-3-5(8)6(9)10/h7H,1-4H2,(H,9,10)
InChIKeyKIKUKXLMZJYPTL-UHFFFAOYSA-N
XLogP-0.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-oxohexanoic acid?
The IUPAC name of 6-hydroxy-2-oxohexanoic acid (CID 6326993) is 6-hydroxy-2-oxohexanoic acid.
What is the SMILES notation for 6-hydroxy-2-oxohexanoic acid?
The canonical SMILES for 6-hydroxy-2-oxohexanoic acid is O=C(O)C(=O)CCCCO.
What is the InChIKey of 6-hydroxy-2-oxohexanoic acid?
The InChIKey is KIKUKXLMZJYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-4-2-1-3-5(8)6(9)10/h7H,1-4H2,(H,9,10).
What are the key properties of 6-hydroxy-2-oxohexanoic acid?
6-hydroxy-2-oxohexanoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-oxohexanoic acid is sourced from PubChem (CID 6326993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).