(E)-tridec-2-enoic acid

C13H24O2 — CID 5282735

IUPAC(E)-tridec-2-enoic acid
SMILESCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+
InChIKeyGQVYBECSNBLQJV-VAWYXSNFSA-N
MW212.33 g/mol
LogP4.16
Rot. Bonds10

About (E)-tridec-2-enoic acid

(E)-tridec-2-enoic acid (PubChem CID 5282735) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-tridec-2-enoic acid.

Molecular Properties

Compound Name(E)-tridec-2-enoic acid
PubChem CID5282735
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-tridec-2-enoic acid
SMILESCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+
InChIKeyGQVYBECSNBLQJV-VAWYXSNFSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-tridec-2-enoic acid?
The IUPAC name of (E)-tridec-2-enoic acid (CID 5282735) is (E)-tridec-2-enoic acid.
What is the SMILES notation for (E)-tridec-2-enoic acid?
The canonical SMILES for (E)-tridec-2-enoic acid is CCCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-tridec-2-enoic acid?
The InChIKey is GQVYBECSNBLQJV-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+.
What are the key properties of (E)-tridec-2-enoic acid?
(E)-tridec-2-enoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-2-enoic acid is sourced from PubChem (CID 5282735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).