tetracosa-9,12,15,18-tetraenoic acid

C24H40O2 — CID 75955148

IUPACtetracosa-9,12,15,18-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C24H40O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26)
InChIKeyMMJZTSLHOIGZPU-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.78
Rot. Bonds18

About tetracosa-9,12,15,18-tetraenoic acid

tetracosa-9,12,15,18-tetraenoic acid (PubChem CID 75955148) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is tetracosa-9,12,15,18-tetraenoic acid.

Molecular Properties

Compound Nametetracosa-9,12,15,18-tetraenoic acid
PubChem CID75955148
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Nametetracosa-9,12,15,18-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C24H40O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26)
InChIKeyMMJZTSLHOIGZPU-UHFFFAOYSA-N
XLogP7.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.78
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

(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800
triaconta-13,16,19-trienoic acid
CID 169277220

Frequently Asked Questions

What is the IUPAC name of tetracosa-9,12,15,18-tetraenoic acid?
The IUPAC name of tetracosa-9,12,15,18-tetraenoic acid (CID 75955148) is tetracosa-9,12,15,18-tetraenoic acid.
What is the SMILES notation for tetracosa-9,12,15,18-tetraenoic acid?
The canonical SMILES for tetracosa-9,12,15,18-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)O.
What is the InChIKey of tetracosa-9,12,15,18-tetraenoic acid?
The InChIKey is MMJZTSLHOIGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26).
What are the key properties of tetracosa-9,12,15,18-tetraenoic acid?
tetracosa-9,12,15,18-tetraenoic acid has a molecular weight of 360.58 g/mol, XLogP of 7.78, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosa-9,12,15,18-tetraenoic acid is sourced from PubChem (CID 75955148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).