Chemical ID: 6679822

CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Chemical ID:
6679822
Name [?]:
bis(2-ethylhexyl) hexanedioate
SMILES [?]:
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChi [?]:
InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,7,22,2,25,6,21,3,24,13,14,4,23,12,15,8,19,5,20,10,16,11,17,9,18/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)(25,26)/rA:26cCCCCCCCCOCOCCCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s20;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H42O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:15.1798
Area:712.267
Solvation:-2.62687
Coulombic:-39.9629
Bond Count [?]
All:25
Single:23
Double:2
Rotors:19
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:370.566
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.36
LogP (Chemaxon):6.08

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Experimental Annotations

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Descriptor Annotations

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