17-ethyldocosa-7,10,13,15-tetraenoic acid

C24H40O2 — CID 91457057

IUPAC17-ethyldocosa-7,10,13,15-tetraenoic acid
SMILESCCCCCC(C=CC=CCC=CCC=CCCCCCC(=O)O)CC
InChIInChI=1S/C24H40O2/c1-3-5-17-20-23(4-2)21-18-15-13-11-9-7-6-8-10-12-14-16-19-22-24(25)26/h7-10,13,15,18,21,23H,3-6,11-12,14,16-17,19-20,22H2,1-2H3,(H,25,26)
InChIKeyFFKJZQPMZDHXTK-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.63
Rot. Bonds17

About 17-ethyldocosa-7,10,13,15-tetraenoic acid

17-ethyldocosa-7,10,13,15-tetraenoic acid (PubChem CID 91457057) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 17-ethyldocosa-7,10,13,15-tetraenoic acid.

Molecular Properties

Compound Name17-ethyldocosa-7,10,13,15-tetraenoic acid
PubChem CID91457057
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name17-ethyldocosa-7,10,13,15-tetraenoic acid
SMILESCCCCCC(C=CC=CCC=CCC=CCCCCCC(=O)O)CC
InChIInChI=1S/C24H40O2/c1-3-5-17-20-23(4-2)21-18-15-13-11-9-7-6-8-10-12-14-16-19-22-24(25)26/h7-10,13,15,18,21,23H,3-6,11-12,14,16-17,19-20,22H2,1-2H3,(H,25,26)
InChIKeyFFKJZQPMZDHXTK-UHFFFAOYSA-N
XLogP7.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
CID 100915198
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 53394279
(13S)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
CID 57357406
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002

Frequently Asked Questions

What is the IUPAC name of 17-ethyldocosa-7,10,13,15-tetraenoic acid?
The IUPAC name of 17-ethyldocosa-7,10,13,15-tetraenoic acid (CID 91457057) is 17-ethyldocosa-7,10,13,15-tetraenoic acid.
What is the SMILES notation for 17-ethyldocosa-7,10,13,15-tetraenoic acid?
The canonical SMILES for 17-ethyldocosa-7,10,13,15-tetraenoic acid is CCCCCC(C=CC=CCC=CCC=CCCCCCC(=O)O)CC.
What is the InChIKey of 17-ethyldocosa-7,10,13,15-tetraenoic acid?
The InChIKey is FFKJZQPMZDHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-3-5-17-20-23(4-2)21-18-15-13-11-9-7-6-8-10-12-14-16-19-22-24(25)26/h7-10,13,15,18,21,23H,3-6,11-12,14,16-17,19-20,22H2,1-2H3,(H,25,26).
What are the key properties of 17-ethyldocosa-7,10,13,15-tetraenoic acid?
17-ethyldocosa-7,10,13,15-tetraenoic acid has a molecular weight of 360.58 g/mol, XLogP of 7.63, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyldocosa-7,10,13,15-tetraenoic acid is sourced from PubChem (CID 91457057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).