Chemical ID: 6682742

CCC=CCC=CCC=CCCCCCCCC(=O)OC
Chemical ID:
6682742
Name [?]:
methyl octadeca-9,12,15-trienoate
SMILES [?]:
CCC=CCC=CCC=CCCCCCCCC(=O)OC
InChi [?]:
InChI=1/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/rA:21nCCCCCCCCCCCCCCCCCCOOC/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:13.5151
Area:616.339
Solvation:-1.89334
Coulombic:-23.829
Bond Count [?]
All:20
Single:16
Double:4
Rotors:14
Chiral:3
Rigid Segments:9
Chemical Properties
Molecular Weight:292.456
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.17
LogP (Chemaxon):5.66

Name Annotations

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Descriptor Annotations

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