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Chemical ID: 6673518
Chemical ID:
6673518
Name [?]:
docosane-7,16-dione
SMILES [?]:
CCCCCCC(=O)CCCCCCCCC(=O)CCCCCC
InChi [?]:
InChI=1/C22H42O2/c1-3-5-7-13-17-21(23)19-15-11-9-10-12-16-20-22(24)18-14-8-6-4-2/h3-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,4,21,12,13,11,14,5,20,10,15,6,19,9,16,7,17,8,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCCOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H42O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5151 |
Area: | 702.751 |
Solvation: | -3.05371 |
Coulombic: | -17.1512 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 19 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 338.568 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.6 |
LogP (Chemaxon): | 7.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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