Chemical ID: 6683778

CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
Chemical ID:
6683778
Name [?]:
bis(2-ethylhexyl) decanedioate
SMILES [?]:
CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
InChi [?]:
InChI=1/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,7,26,2,29,6,25,3,28,15,16,14,17,13,18,4,27,12,19,8,23,5,24,10,20,11,21,9,22/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)(27,28)(29,30)/rA:30cCCCCCCCCOCOCCCCCCCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s24;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H50O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:17.7723
Area:816.462
Solvation:-2.63925
Coulombic:-41.2337
Bond Count [?]
All:29
Single:27
Double:2
Rotors:23
Chiral:0
Rigid Segments:14
Chemical Properties
Molecular Weight:426.673
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:8.37
LogP (Chemaxon):7.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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