tridec-12-enoic acid

C13H24O2 — CID 5282737

IUPACtridec-12-enoic acid
SMILESC=CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
InChIKeyPARCICAYFORNPH-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.16
Rot. Bonds11

About tridec-12-enoic acid

tridec-12-enoic acid (PubChem CID 5282737) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is tridec-12-enoic acid.

Molecular Properties

Compound Nametridec-12-enoic acid
PubChem CID5282737
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nametridec-12-enoic acid
SMILESC=CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
InChIKeyPARCICAYFORNPH-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tridec-12-enoic acid?
The IUPAC name of tridec-12-enoic acid (CID 5282737) is tridec-12-enoic acid.
What is the SMILES notation for tridec-12-enoic acid?
The canonical SMILES for tridec-12-enoic acid is C=CCCCCCCCCCCC(=O)O.
What is the InChIKey of tridec-12-enoic acid?
The InChIKey is PARCICAYFORNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15).
What are the key properties of tridec-12-enoic acid?
tridec-12-enoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-12-enoic acid is sourced from PubChem (CID 5282737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).