2-hydroxynonanoic acid

C9H18O3 — CID 5282897

IUPAC2-hydroxynonanoic acid
SMILESCCCCCCCC(O)C(=O)O
InChIInChI=1S/C9H18O3/c1-2-3-4-5-6-7-8(10)9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyBTJFTHOOADNOOS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.79
Rot. Bonds7

About 2-hydroxynonanoic acid

2-hydroxynonanoic acid (PubChem CID 5282897) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hydroxynonanoic acid.

Molecular Properties

Compound Name2-hydroxynonanoic acid
PubChem CID5282897
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-hydroxynonanoic acid
SMILESCCCCCCCC(O)C(=O)O
InChIInChI=1S/C9H18O3/c1-2-3-4-5-6-7-8(10)9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyBTJFTHOOADNOOS-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxynonanoic acid?
The IUPAC name of 2-hydroxynonanoic acid (CID 5282897) is 2-hydroxynonanoic acid.
What is the SMILES notation for 2-hydroxynonanoic acid?
The canonical SMILES for 2-hydroxynonanoic acid is CCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxynonanoic acid?
The InChIKey is BTJFTHOOADNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-3-4-5-6-7-8(10)9(11)12/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-hydroxynonanoic acid?
2-hydroxynonanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynonanoic acid is sourced from PubChem (CID 5282897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).