tetracosa-4,8,12,15,19,22-hexaenoic acid

C24H36O2 — CID 164519601

IUPACtetracosa-4,8,12,15,19,22-hexaenoic acid
SMILESCC=CCC=CCCC=CCC=CCCC=CCCC=CCCC(=O)O
InChIInChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-3,5-6,9-10,12-13,16-17,20-21H,4,7-8,11,14-15,18-19,22-23H2,1H3,(H,25,26)
InChIKeyXTFIUWRFMOPUGP-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.33
Rot. Bonds16

About tetracosa-4,8,12,15,19,22-hexaenoic acid

tetracosa-4,8,12,15,19,22-hexaenoic acid (PubChem CID 164519601) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is tetracosa-4,8,12,15,19,22-hexaenoic acid.

Molecular Properties

Compound Nametetracosa-4,8,12,15,19,22-hexaenoic acid
PubChem CID164519601
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Nametetracosa-4,8,12,15,19,22-hexaenoic acid
SMILESCC=CCC=CCCC=CCC=CCCC=CCCC=CCCC(=O)O
InChIInChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-3,5-6,9-10,12-13,16-17,20-21H,4,7-8,11,14-15,18-19,22-23H2,1H3,(H,25,26)
InChIKeyXTFIUWRFMOPUGP-UHFFFAOYSA-N
XLogP7.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.33
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

(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679

Frequently Asked Questions

What is the IUPAC name of tetracosa-4,8,12,15,19,22-hexaenoic acid?
The IUPAC name of tetracosa-4,8,12,15,19,22-hexaenoic acid (CID 164519601) is tetracosa-4,8,12,15,19,22-hexaenoic acid.
What is the SMILES notation for tetracosa-4,8,12,15,19,22-hexaenoic acid?
The canonical SMILES for tetracosa-4,8,12,15,19,22-hexaenoic acid is CC=CCC=CCCC=CCC=CCCC=CCCC=CCCC(=O)O.
What is the InChIKey of tetracosa-4,8,12,15,19,22-hexaenoic acid?
The InChIKey is XTFIUWRFMOPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-3,5-6,9-10,12-13,16-17,20-21H,4,7-8,11,14-15,18-19,22-23H2,1H3,(H,25,26).
What are the key properties of tetracosa-4,8,12,15,19,22-hexaenoic acid?
tetracosa-4,8,12,15,19,22-hexaenoic acid has a molecular weight of 356.55 g/mol, XLogP of 7.33, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosa-4,8,12,15,19,22-hexaenoic acid is sourced from PubChem (CID 164519601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).