Chemical ID: 5823082

CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
Chemical ID:
5823082
Name [?]:
octadeca-9,12,15-trienoate
SMILES [?]:
CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
InChi [?]:
InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(19,20)/rA:20nCCCCCCCCCCCCCCCCCCOO-/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29O2-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-29.3008
Area:588.35
Solvation:-44.0096
Coulombic:-3.59677
Bond Count [?]
All:19
Single:15
Double:4
Rotors:13
Chiral:3
Rigid Segments:8
Chemical Properties
Molecular Weight:277.422
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.37
LogP (Chemaxon):5.62

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Descriptor Annotations

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