Chemical ID: 6673518

CCCCCCC(=O)CCCCCCCCC(=O)CCCCCC
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

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Experimental Annotations

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Descriptor Annotations

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