(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid

C14H24O3 — CID 19027368

IUPAC(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid
SMILESCC(O)CCC/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h3-6,13,15H,2,7-12H2,1H3,(H,16,17)/b5-3+,6-4+
InChIKeySZLJMNKQTWONDF-GGWOSOGESA-N
MW240.34 g/mol
LogP3.29
Rot. Bonds10

About (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid

(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid (PubChem CID 19027368) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid.

Molecular Properties

Compound Name(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid
PubChem CID19027368
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid
SMILESCC(O)CCC/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h3-6,13,15H,2,7-12H2,1H3,(H,16,17)/b5-3+,6-4+
InChIKeySZLJMNKQTWONDF-GGWOSOGESA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Arachidonic Acid
CID 444899
Icosapent
CID 446284
12S-Hete
CID 5283155
20-Hydroxyeicosatetraenoic acid
CID 5283157
Eicosapentaenoic Acid
CID 5282847
cis-5-Dodecenoic acid
CID 5312378
8(S)-Hete
CID 5283154
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
12(S)-Hydroxy-(5Z,8E,10E)-heptadecatrienoic acid
CID 5283141
12-Hydroxy-5,8,10,14-eicosatetraenoic acid
CID 13786989
Pinolenic acid
CID 5312495
8,9-Epoxyeicosatrienoic acid
CID 5283203

Frequently Asked Questions

What is the IUPAC name of (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid?
The IUPAC name of (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid (CID 19027368) is (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid.
What is the SMILES notation for (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid?
The canonical SMILES for (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid is CC(O)CCC/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid?
The InChIKey is SZLJMNKQTWONDF-GGWOSOGESA-N. The full InChI is InChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h3-6,13,15H,2,7-12H2,1H3,(H,16,17)/b5-3+,6-4+.
What are the key properties of (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid?
(5E,8E)-13-hydroxytetradeca-5,8-dienoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E)-13-hydroxytetradeca-5,8-dienoic acid is sourced from PubChem (CID 19027368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).