Chemical ID: 6693564

CCCCCC=CCC=CCC=CCCCCC(=O)OCC
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

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Experimental Annotations

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Descriptor Annotations

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