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Chemical ID: 6550507
Chemical ID:
6550507
Name [?]:
bis[2-(2-butoxy-1-methyl-ethoxy)-1-methyl-ethyl] butanedioate
SMILES [?]:
CCCCOCC(C)OCC(C)OC(=O)CCC(=O)OC(C)COC(C)COCCCC
InChi [?]:
InChI=1/C24H46O8/c1-7-9-13-27-15-19(3)29-17-21(5)31-23(25)11-12-24(26)32-22(6)18-30-20(4)16-28-14-10-8-2/h19-22H,7-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,32,8,26,12,22,2,31,3,30,16,17,4,29,6,27,10,23,7,25,11,21,14,18,15,19,5,28,9,24,13,20/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)(31,32)/rA:32cCCCCOCCCOCCCOCOCCCOOCCCOCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s11;s11;s13;d14;s14;s16;s17;d18;s18;s20;s21;s21;s23;s24;s25;s25;s27;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H46O8 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 11.0168 |
Area: | 844.255 |
Solvation: | -10.0896 |
Coulombic: | -66.1253 |
Bond Count [?]
All: | 31 |
Single: | 29 |
Double: | 2 |
Rotors: | 23 |
Chiral: | 0 |
Rigid Segments: | 15 |
Chemical Properties
Molecular Weight: | 462.617 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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