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Chemical ID: 3966594
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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