Chemical ID: 6550507

CCCCOCC(C)OCC(C)OC(=O)CCC(=O)OC(C)COC(C)COCCCC
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

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Experimental Annotations

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Descriptor Annotations

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