tetracosa-6,9,12,15,18-pentaenoic acid

C24H38O2 — CID 72731988

IUPACtetracosa-6,9,12,15,18-pentaenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C24H38O2/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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)
InChIKeyVENRYLMOFDSSDJ-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.55
Rot. Bonds17

About tetracosa-6,9,12,15,18-pentaenoic acid

tetracosa-6,9,12,15,18-pentaenoic acid (PubChem CID 72731988) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is tetracosa-6,9,12,15,18-pentaenoic acid.

Molecular Properties

Compound Nametetracosa-6,9,12,15,18-pentaenoic acid
PubChem CID72731988
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Nametetracosa-6,9,12,15,18-pentaenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C24H38O2/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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)
InChIKeyVENRYLMOFDSSDJ-UHFFFAOYSA-N
XLogP7.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.55
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

(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
hexacosa-9,12-dienoic acid
CID 169276991
(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
CID 165313676
octatriaconta-20,23,26,29,32-pentaenoic acid
CID 75955171
(6E,9E)-hexadeca-6,9-dienoic acid
CID 5312424
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
octacosa-10,13,16-trienoic acid
CID 169277248
(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;hydrate
CID 141267373
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032

Frequently Asked Questions

What is the IUPAC name of tetracosa-6,9,12,15,18-pentaenoic acid?
The IUPAC name of tetracosa-6,9,12,15,18-pentaenoic acid (CID 72731988) is tetracosa-6,9,12,15,18-pentaenoic acid.
What is the SMILES notation for tetracosa-6,9,12,15,18-pentaenoic acid?
The canonical SMILES for tetracosa-6,9,12,15,18-pentaenoic acid is CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O.
What is the InChIKey of tetracosa-6,9,12,15,18-pentaenoic acid?
The InChIKey is VENRYLMOFDSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26).
What are the key properties of tetracosa-6,9,12,15,18-pentaenoic acid?
tetracosa-6,9,12,15,18-pentaenoic acid has a molecular weight of 358.57 g/mol, XLogP of 7.55, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosa-6,9,12,15,18-pentaenoic acid is sourced from PubChem (CID 72731988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).