Chemical ID: 3966750

CCCCCC=CCC=CCC=CCCCCC(=O)O
Chemical ID:
3966750
Name [?]:
octadeca-6,9,12-trienoic acid
SMILES [?]:
CCCCCC=CCC=CCC=CCCCCC(=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/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)
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;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:12.962
Area:591.094
Solvation:-1.81537
Coulombic:-31.7206
Bond Count [?]
All:19
Single:15
Double:4
Rotors:13
Chiral:3
Rigid Segments:8
Chemical Properties
Molecular Weight:278.43
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.85
LogP (Chemaxon):5.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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