(5E,8E,14E)-icosa-5,8,14-trienoic acid

C20H34O2 — CID 6439516

IUPAC(5E,8E,14E)-icosa-5,8,14-trienoic acid
SMILESCCCCC/C=C/CCCC/C=C/C/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/h6-7,12-13,15-16H,2-5,8-11,14,17-19H2,1H3,(H,21,22)/b7-6+,13-12+,16-15+
InChIKeyMZHLWKPZCXLYSL-GDDCFCEESA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About (5E,8E,14E)-icosa-5,8,14-trienoic acid

(5E,8E,14E)-icosa-5,8,14-trienoic acid (PubChem CID 6439516) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (5E,8E,14E)-icosa-5,8,14-trienoic acid.

Molecular Properties

Compound Name(5E,8E,14E)-icosa-5,8,14-trienoic acid
PubChem CID6439516
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(5E,8E,14E)-icosa-5,8,14-trienoic acid
SMILESCCCCC/C=C/CCCC/C=C/C/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/h6-7,12-13,15-16H,2-5,8-11,14,17-19H2,1H3,(H,21,22)/b7-6+,13-12+,16-15+
InChIKeyMZHLWKPZCXLYSL-GDDCFCEESA-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

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
octadeca-5,8,12-trienoic acid
CID 173410931
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
CID 87290377
CID 87290377
potassium;hydride;icosa-5,8,11,14-tetraenoic acid
CID 173062804
(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
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642

Frequently Asked Questions

What is the IUPAC name of (5E,8E,14E)-icosa-5,8,14-trienoic acid?
The IUPAC name of (5E,8E,14E)-icosa-5,8,14-trienoic acid (CID 6439516) is (5E,8E,14E)-icosa-5,8,14-trienoic acid.
What is the SMILES notation for (5E,8E,14E)-icosa-5,8,14-trienoic acid?
The canonical SMILES for (5E,8E,14E)-icosa-5,8,14-trienoic acid is CCCCC/C=C/CCCC/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,14E)-icosa-5,8,14-trienoic acid?
The InChIKey is MZHLWKPZCXLYSL-GDDCFCEESA-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/h6-7,12-13,15-16H,2-5,8-11,14,17-19H2,1H3,(H,21,22)/b7-6+,13-12+,16-15+.
What are the key properties of (5E,8E,14E)-icosa-5,8,14-trienoic acid?
(5E,8E,14E)-icosa-5,8,14-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 (5E,8E,14E)-icosa-5,8,14-trienoic acid is sourced from PubChem (CID 6439516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).