(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid

C20H30O2 — CID 87843466

IUPAC(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid
SMILESCC/C=C/C/C=C/C/C=C/CCCC=C=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,14,16H,2,5,8,11-13,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
InChIKeyBTADIBYPACMUQE-IUQGRGSQSA-N
MW302.46 g/mol
LogP5.98
Rot. Bonds13

About (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid

(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid (PubChem CID 87843466) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid
PubChem CID87843466
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid
SMILESCC/C=C/C/C=C/C/C=C/CCCC=C=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,14,16H,2,5,8,11-13,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
InChIKeyBTADIBYPACMUQE-IUQGRGSQSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.98
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'}

Analyze (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

icosa-5,6,11,14,17-pentaenoic acid
CID 91490444
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
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
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid);propylazanium
CID 157140690

Frequently Asked Questions

What is the IUPAC name of (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid?
The IUPAC name of (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid (CID 87843466) is (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid.
What is the SMILES notation for (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid?
The canonical SMILES for (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid is CC/C=C/C/C=C/C/C=C/CCCC=C=CCCCC(=O)O.
What is the InChIKey of (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid?
The InChIKey is BTADIBYPACMUQE-IUQGRGSQSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,14,16H,2,5,8,11-13,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+.
What are the key properties of (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid?
(11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,14E,17E)-icosa-5,6,11,14,17-pentaenoic acid is sourced from PubChem (CID 87843466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).