Chemical ID: 6692887

CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC
Chemical ID:
6692887
Name [?]:
methyl docosa-7,10,13,16-tetraenoate
SMILES [?]:
CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC
InChi [?]:
InChI=1/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24/rA:25nCCCCCCCCCCCCCCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;s20;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H38O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:15.8152
Area:713.152
Solvation:-2.01365
Coulombic:-25.5752
Bond Count [?]
All:24
Single:19
Double:5
Rotors:17
Chiral:4
Rigid Segments:10
Chemical Properties
Molecular Weight:346.547
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.7
LogP (Chemaxon):6.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue