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Chemical ID: 6426881
Chemical ID:
6426881
Name [?]:
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)OC1C(C(C(C(C1OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
InChi [?]:
InChI=1/C30H48O12/c1-13(2)25(31)37-19-20(38-26(32)14(3)4)22(40-28(34)16(7)8)24(42-30(36)18(11)12)23(41-29(35)17(9)10)21(19)39-27(33)15(5)6/h13-24H,1-12H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,41,42,23,24,35,36,29,30,2,16,40,22,34,28,7,12,8,11,9,10,4,14,38,20,32,26,5,15,39,21,33,27,6,13,37,19,31,25/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)(31,32,33,34,35,36)(37,38,39,40,41,42)/rA:42nCCCCOOCCCCCCOCOCCCOCOCCCOCOCCCOCOCCCOCOCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s7s11;s12;s13;d14;s14;s16;s16;s11;s19;d20;s20;s22;s22;s10;s25;d26;s26;s28;s28;s9;s31;d32;s32;s34;s34;s8;s37;d38;s38;s40;s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H48O12 |
All Atoms: | 42 |
Heavy Atoms: | 42 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7575 |
Area: | 804.888 |
Solvation: | -6.36467 |
Coulombic: | -110.989 |
Bond Count [?]
All: | 42 |
Single: | 36 |
Double: | 6 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 600.695 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 12 |
XLogP: | 3.68 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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