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Chemical ID: 6692887
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
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Experimental Annotations
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Descriptor Annotations
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