3-hydroxytetradeca-5,8-dienoic acid

C14H24O3 — CID 54175740

IUPAC3-hydroxytetradeca-5,8-dienoic acid
SMILESCCCCCC=CCC=CCC(O)CC(=O)O
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h6-7,9-10,13,15H,2-5,8,11-12H2,1H3,(H,16,17)
InChIKeyOYFKCEXKPUVCLL-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.29
Rot. Bonds10

About 3-hydroxytetradeca-5,8-dienoic acid

3-hydroxytetradeca-5,8-dienoic acid (PubChem CID 54175740) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-hydroxytetradeca-5,8-dienoic acid.

Molecular Properties

Compound Name3-hydroxytetradeca-5,8-dienoic acid
PubChem CID54175740
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-hydroxytetradeca-5,8-dienoic acid
SMILESCCCCCC=CCC=CCC(O)CC(=O)O
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h6-7,9-10,13,15H,2-5,8,11-12H2,1H3,(H,16,17)
InChIKeyOYFKCEXKPUVCLL-UHFFFAOYSA-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

8,9-Dihydroxyeicosatrienoic acid
CID 5283144
11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic acid
CID 5283146
17,18-DiHETE
CID 16061120
19(S)-Hete
CID 9548883
14,15-DiHETE
CID 16061119
12-Hydroxy-5,8,14-eicosatrienoic acid
CID 5283149
18-Hydroxyeicosatetraenoic acid
CID 6442778
(5Z,8Z,11Z,14Z)-17-Hydroxy-5,8,11,14-eicosatetraenoic acid
CID 6442740
(5Z,8Z,11Z,14Z,18R)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 11141754
Glyceryl Arachidonate
CID 121437528
19-Hete
CID 20839325
8,9-Dihydroxy-5,11,14-eicosatrienoic acid
CID 5312971

Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetradeca-5,8-dienoic acid?
The IUPAC name of 3-hydroxytetradeca-5,8-dienoic acid (CID 54175740) is 3-hydroxytetradeca-5,8-dienoic acid.
What is the SMILES notation for 3-hydroxytetradeca-5,8-dienoic acid?
The canonical SMILES for 3-hydroxytetradeca-5,8-dienoic acid is CCCCCC=CCC=CCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxytetradeca-5,8-dienoic acid?
The InChIKey is OYFKCEXKPUVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h6-7,9-10,13,15H,2-5,8,11-12H2,1H3,(H,16,17).
What are the key properties of 3-hydroxytetradeca-5,8-dienoic acid?
3-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 3-hydroxytetradeca-5,8-dienoic acid is sourced from PubChem (CID 54175740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).