(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid

C14H22O2 — CID 118863896

IUPAC(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3,(H,15,16)/b4-3-,7-6-,10-9-
InChIKeyOGNXSHDOHVRKCU-PDBXOOCHSA-N
MW222.33 g/mol
LogP4.10
Rot. Bonds9

About (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid

(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid (PubChem CID 118863896) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
PubChem CID118863896
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3,(H,15,16)/b4-3-,7-6-,10-9-
InChIKeyOGNXSHDOHVRKCU-PDBXOOCHSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.10
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

2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
icosa-8,14,17-trienoic acid
CID 54189424
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
bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid);propylazanium
CID 157140690
CID 87067082
CID 87067082
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
CID 89050149

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid?
The IUPAC name of (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid (CID 118863896) is (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid.
What is the SMILES notation for (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid?
The canonical SMILES for (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid is CC/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid?
The InChIKey is OGNXSHDOHVRKCU-PDBXOOCHSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,6-7,9-10H,2,5,8,11-13H2,1H3,(H,15,16)/b4-3-,7-6-,10-9-.
What are the key properties of (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid?
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid has a molecular weight of 222.33 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid is sourced from PubChem (CID 118863896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).