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Chemical ID: 6683778
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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