Chemical ID: 3966501

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
Chemical ID:
3966501
Name [?]:
icosa-5,8,11,14,17-pentaenoic acid
SMILES [?]:
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
InChi [?]:
InChI=1/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(21,22)/rA:22nCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:14.1935
Area:648.745
Solvation:-2.02515
Coulombic:-33.3857
Bond Count [?]
All:21
Single:15
Double:6
Rotors:13
Chiral:5
Rigid Segments:8
Chemical Properties
Molecular Weight:302.451
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.12
LogP (Chemaxon):5.9

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