3-(oxan-2-yloxy)nonanoic acid

C14H26O4 — CID 14692539

IUPAC3-(oxan-2-yloxy)nonanoic acid
SMILESCCCCCCC(CC(=O)O)OC1CCCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-8-12(11-13(15)16)18-14-9-6-7-10-17-14/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyABBMSOKGWOMZJE-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.34
Rot. Bonds9

About 3-(oxan-2-yloxy)nonanoic acid

3-(oxan-2-yloxy)nonanoic acid (PubChem CID 14692539) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)nonanoic acid.

Molecular Properties

Compound Name3-(oxan-2-yloxy)nonanoic acid
PubChem CID14692539
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name3-(oxan-2-yloxy)nonanoic acid
SMILESCCCCCCC(CC(=O)O)OC1CCCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-8-12(11-13(15)16)18-14-9-6-7-10-17-14/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyABBMSOKGWOMZJE-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(oxan-2-yloxy)nonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)nonanoic acid?
The IUPAC name of 3-(oxan-2-yloxy)nonanoic acid (CID 14692539) is 3-(oxan-2-yloxy)nonanoic acid.
What is the SMILES notation for 3-(oxan-2-yloxy)nonanoic acid?
The canonical SMILES for 3-(oxan-2-yloxy)nonanoic acid is CCCCCCC(CC(=O)O)OC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxy)nonanoic acid?
The InChIKey is ABBMSOKGWOMZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-8-12(11-13(15)16)18-14-9-6-7-10-17-14/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of 3-(oxan-2-yloxy)nonanoic acid?
3-(oxan-2-yloxy)nonanoic acid has a molecular weight of 258.36 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)nonanoic acid is sourced from PubChem (CID 14692539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).