Molecule

2,4,8,10-Octadecatetraen-12-ynoic acid; (2E,4E,8E,10Z)-form, 2-Methylpropylamide

AlkaPlorer ID: AK308413

Synonym: N-Isobutyl-2,4,8,10-octadecatetraen-12-ynamide

IUPAC Name: (2E,4E,8E,10Z)-N-(2-methylpropyl)octadeca-2,4,8,10-tetraen-12-ynamide

Structure

SMILES: CCCCCC#C/C=C\C=C\CC/C=C/C=C/C(O)=NCC(C)C

InChI: InChI=1S/C22H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h10-13,16-19,21H,4-7,14-15,20H2,1-3H3,(H,23,24)/b11-10-,13-12+,17-16+,19-18+

InChIKey: TWBUZSGAPOMQHC-VUGWCADBSA-N

Reference

Polyacetylenverbindungen, 269 Neue <i>NS</i>‐Isobutylamide aus <i>Heliopsis</i>‐Arten

CAS: 86926-68-3

LOTUS: LTS0218374

NPASS: NPC262280

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gracilaria edulis	Gracilaria	Gracilariaceae	Gracilariales	Florideophyceae	Rhodophyta	None	Eukaryota
Neobeguea mahafalensis	Neobeguea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliopsis buphthalmoides	Heliopsis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Smyrnium olusatrum	Smyrnium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Microbulbifer variabilis	Microbulbifer	Microbulbiferaceae	Cellvibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Emiliania huxleyi	Emiliania	Noelaerhabdaceae	Isochrysidales	None	Haptophyta	None	Eukaryota
Siphocampylus macropodus	Siphocampylus	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Montanoa leucantha	Montanoa	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia boetica	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Kielmeyera pumila	Kielmeyera	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 327.51200000000006

TPSA？: 32.59

MolLogP？: 6.187600000000007

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi