tridecanoic acid

C13H26O2 — CID 12530

IUPACtridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.38
Rot. Bonds11

About tridecanoic acid

tridecanoic acid (PubChem CID 12530) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is tridecanoic acid.

Molecular Properties

Compound Nametridecanoic acid
PubChem CID12530
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Nametridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 tridecanoic acid?
The IUPAC name of tridecanoic acid (CID 12530) is tridecanoic acid.
What is the SMILES notation for tridecanoic acid?
The canonical SMILES for tridecanoic acid is CCCCCCCCCCCCC(=O)O.
What is the InChIKey of tridecanoic acid?
The InChIKey is SZHOJFHSIKHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15).
What are the key properties of tridecanoic acid?
tridecanoic acid has a molecular weight of 214.35 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridecanoic acid is sourced from PubChem (CID 12530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).