Chemical ID: 3966594

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC
Chemical ID:
3966594
Name [?]:
ethyl icosa-5,8,11,14,17-pentaenoate
SMILES [?]:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC
InChi [?]:
InChI=1/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/rA:24nCCCCCCCCCCCCCCCCCCCCOOCC/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H34O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:15.5149
Area:701.746
Solvation:-2.0288
Coulombic:-25.8248
Bond Count [?]
All:23
Single:17
Double:6
Rotors:15
Chiral:5
Rigid Segments:9
Chemical Properties
Molecular Weight:330.504
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.87
LogP (Chemaxon):6.27

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Descriptor Annotations

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