(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid

C20H34O2 — CID 52921834

IUPAC(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
SMILESCCC/C=C\C/C=C\CCCCCC/C=C\CCCC(=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/h4-5,7-8,15-16H,2-3,6,9-14,17-19H2,1H3,(H,21,22)/b5-4-,8-7-,16-15-
InChIKeyCTIYMRZSJKVQFR-RWDPQMMFSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid

(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid (PubChem CID 52921834) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid.

Molecular Properties

Compound Name(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
PubChem CID52921834
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
SMILESCCC/C=C\C/C=C\CCCCCC/C=C\CCCC(=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/h4-5,7-8,15-16H,2-3,6,9-14,17-19H2,1H3,(H,21,22)/b5-4-,8-7-,16-15-
InChIKeyCTIYMRZSJKVQFR-RWDPQMMFSA-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'}

Analyze (5Z,13Z,16Z)-icosa-5,13,16-trienoic 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

(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
henicosa-11,14,17-trienoic acid
CID 169277280
(9Z)-hexadeca-9,12-dienoic acid
CID 87441116
(8E,11E,14E)-octadeca-8,11,14-trienoic acid
CID 6507258
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
CID 87290377
CID 87290377
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865

Frequently Asked Questions

What is the IUPAC name of (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid?
The IUPAC name of (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid (CID 52921834) is (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid.
What is the SMILES notation for (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid?
The canonical SMILES for (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid is CCC/C=C\C/C=C\CCCCCC/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid?
The InChIKey is CTIYMRZSJKVQFR-RWDPQMMFSA-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/h4-5,7-8,15-16H,2-3,6,9-14,17-19H2,1H3,(H,21,22)/b5-4-,8-7-,16-15-.
What are the key properties of (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid?
(5Z,13Z,16Z)-icosa-5,13,16-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 (5Z,13Z,16Z)-icosa-5,13,16-trienoic acid is sourced from PubChem (CID 52921834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).