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Chemical ID: 6693564
Chemical ID:
6693564
Name [?]:
ethyl octadeca-6,9,12-trienoate
SMILES [?]:
CCCCCC=CCC=CCC=CCCCCC(=O)OCC
InChi [?]:
InChI=1/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/rA:22nCCCCCCCCCCCCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;s15;s16;s17;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2979 |
Area: | 644.142 |
Solvation: | -1.8057 |
Coulombic: | -24.158 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 3 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 306.483 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.59 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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