9-hydroxy-4-oxononanoic acid

C9H16O4 — CID 159708655

IUPAC9-hydroxy-4-oxononanoic acid
SMILESO=C(O)CCC(=O)CCCCCO
InChIInChI=1S/C9H16O4/c10-7-3-1-2-4-8(11)5-6-9(12)13/h10H,1-7H2,(H,12,13)
InChIKeyZCOFRYFVWOVXKM-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.97
Rot. Bonds8

About 9-hydroxy-4-oxononanoic acid

9-hydroxy-4-oxononanoic acid (PubChem CID 159708655) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 9-hydroxy-4-oxononanoic acid.

Molecular Properties

Compound Name9-hydroxy-4-oxononanoic acid
PubChem CID159708655
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name9-hydroxy-4-oxononanoic acid
SMILESO=C(O)CCC(=O)CCCCCO
InChIInChI=1S/C9H16O4/c10-7-3-1-2-4-8(11)5-6-9(12)13/h10H,1-7H2,(H,12,13)
InChIKeyZCOFRYFVWOVXKM-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-hydroxy-6-oxopentadecanoic acid
CID 154126593
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
1,11-dihydroxyundecan-6-one
CID 14015246
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
12-hydroxydodecanoic acid;zinc
CID 88673734
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-oxononanoic acid?
The IUPAC name of 9-hydroxy-4-oxononanoic acid (CID 159708655) is 9-hydroxy-4-oxononanoic acid.
What is the SMILES notation for 9-hydroxy-4-oxononanoic acid?
The canonical SMILES for 9-hydroxy-4-oxononanoic acid is O=C(O)CCC(=O)CCCCCO.
What is the InChIKey of 9-hydroxy-4-oxononanoic acid?
The InChIKey is ZCOFRYFVWOVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-7-3-1-2-4-8(11)5-6-9(12)13/h10H,1-7H2,(H,12,13).
What are the key properties of 9-hydroxy-4-oxononanoic acid?
9-hydroxy-4-oxononanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-oxononanoic acid is sourced from PubChem (CID 159708655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).