icosa-8,14,17-trienoic acid

C20H34O2 — CID 54189424

IUPACicosa-8,14,17-trienoic acid
SMILESCCC=CCC=CCCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,12-13H,2,5,8-11,14-19H2,1H3,(H,21,22)
InChIKeyPHLIQNRHSXSLGQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About icosa-8,14,17-trienoic acid

icosa-8,14,17-trienoic acid (PubChem CID 54189424) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is icosa-8,14,17-trienoic acid.

Molecular Properties

Compound Nameicosa-8,14,17-trienoic acid
PubChem CID54189424
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameicosa-8,14,17-trienoic acid
SMILESCCC=CCC=CCCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,12-13H,2,5,8-11,14-19H2,1H3,(H,21,22)
InChIKeyPHLIQNRHSXSLGQ-UHFFFAOYSA-N
XLogP6.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.44
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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Related Compounds

octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
CID 87067082
CID 87067082
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoic acid
CID 87670467
barium(2+);hydride;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 173150856
(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 87369263
(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid;(9E,12E,15E)-octadeca-9,12,15-trienoic acid
CID 87552029

Frequently Asked Questions

What is the IUPAC name of icosa-8,14,17-trienoic acid?
The IUPAC name of icosa-8,14,17-trienoic acid (CID 54189424) is icosa-8,14,17-trienoic acid.
What is the SMILES notation for icosa-8,14,17-trienoic acid?
The canonical SMILES for icosa-8,14,17-trienoic acid is CCC=CCC=CCCCCC=CCCCCCCC(=O)O.
What is the InChIKey of icosa-8,14,17-trienoic acid?
The InChIKey is PHLIQNRHSXSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,12-13H,2,5,8-11,14-19H2,1H3,(H,21,22).
What are the key properties of icosa-8,14,17-trienoic acid?
icosa-8,14,17-trienoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-8,14,17-trienoic acid is sourced from PubChem (CID 54189424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).