5-oxononanoic acid

C9H16O3 — CID 5282980

IUPAC5-oxononanoic acid
SMILESCCCCC(=O)CCCC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyIOLZRTYKQAFXFB-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.00
Rot. Bonds7

About 5-oxononanoic acid

5-oxononanoic acid (PubChem CID 5282980) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-oxononanoic acid.

Molecular Properties

Compound Name5-oxononanoic acid
PubChem CID5282980
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-oxononanoic acid
SMILESCCCCC(=O)CCCC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyIOLZRTYKQAFXFB-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxononanoic acid?
The IUPAC name of 5-oxononanoic acid (CID 5282980) is 5-oxononanoic acid.
What is the SMILES notation for 5-oxononanoic acid?
The canonical SMILES for 5-oxononanoic acid is CCCCC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxononanoic acid?
The InChIKey is IOLZRTYKQAFXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 5-oxononanoic acid?
5-oxononanoic acid has a molecular weight of 172.22 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxononanoic acid is sourced from PubChem (CID 5282980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).