tridecanoic acid

C13H25O2- — CID 176730497

IUPACtridecanoic acid
SMILES[CH2-]CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H25O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1-12H2,(H,14,15)/q-1
InChIKeyJKHYGQWNUMJWTE-UHFFFAOYSA-N
MW213.34 g/mol
LogP4.20
Rot. Bonds11

About tridecanoic acid

tridecanoic acid (PubChem CID 176730497) has the molecular formula C13H25O2- and a molecular weight of 213.34 g/mol. Its IUPAC name is tridecanoic acid.

Molecular Properties

Compound Nametridecanoic acid
PubChem CID176730497
Molecular FormulaC13H25O2-
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Nametridecanoic acid
SMILES[CH2-]CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H25O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1-12H2,(H,14,15)/q-1
InChIKeyJKHYGQWNUMJWTE-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
lithium;butane;hexanoic acid
CID 175606881
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of tridecanoic acid?
The IUPAC name of tridecanoic acid (CID 176730497) is tridecanoic acid.
What is the SMILES notation for tridecanoic acid?
The canonical SMILES for tridecanoic acid is [CH2-]CCCCCCCCCCCC(=O)O.
What is the InChIKey of tridecanoic acid?
The InChIKey is JKHYGQWNUMJWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1-12H2,(H,14,15)/q-1.
What are the key properties of tridecanoic acid?
tridecanoic acid has a molecular weight of 213.34 g/mol, XLogP of 4.20, 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 176730497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).