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Chemical ID: 6682742
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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Experimental Annotations
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Descriptor Annotations
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