5-hydroxy-6-oxononanoic acid

C9H16O4 — CID 175275430

IUPAC5-hydroxy-6-oxononanoic acid
SMILESCCCC(=O)C(O)CCCC(=O)O
InChIInChI=1S/C9H16O4/c1-2-4-7(10)8(11)5-3-6-9(12)13/h8,11H,2-6H2,1H3,(H,12,13)
InChIKeyFPLUMPYDMHTSCF-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.97
Rot. Bonds7

About 5-hydroxy-6-oxononanoic acid

5-hydroxy-6-oxononanoic acid (PubChem CID 175275430) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-hydroxy-6-oxononanoic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxononanoic acid
PubChem CID175275430
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-hydroxy-6-oxononanoic acid
SMILESCCCC(=O)C(O)CCCC(=O)O
InChIInChI=1S/C9H16O4/c1-2-4-7(10)8(11)5-3-6-9(12)13/h8,11H,2-6H2,1H3,(H,12,13)
InChIKeyFPLUMPYDMHTSCF-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

10,13-dihydroxy-12-oxooctadecanoic acid
CID 91031479
15-hydroxyoctacosan-14-one
CID 11270216
5-hydroxydecanoic acid
CID 161390265
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
(5S)-5-hydroxydecanoic acid
CID 6604110
(11S)-11-hydroxyicosan-10-one
CID 98053519
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(5R)-5-hydroxyheptanoic acid
CID 14029725
5-hydroxyhexadecanoic acid
CID 5312761
5,6-dihydroxyoctadecanoic acid
CID 5282926

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxononanoic acid?
The IUPAC name of 5-hydroxy-6-oxononanoic acid (CID 175275430) is 5-hydroxy-6-oxononanoic acid.
What is the SMILES notation for 5-hydroxy-6-oxononanoic acid?
The canonical SMILES for 5-hydroxy-6-oxononanoic acid is CCCC(=O)C(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-6-oxononanoic acid?
The InChIKey is FPLUMPYDMHTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-4-7(10)8(11)5-3-6-9(12)13/h8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 5-hydroxy-6-oxononanoic acid?
5-hydroxy-6-oxononanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxononanoic acid is sourced from PubChem (CID 175275430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).