ChemDB: Chemical Search
Download
Chemical ID: 6656345
Chemical ID:
6656345
Name [?]:
diethyl 2-[[4-[2,2-bis(ethoxycarbonyl)ethyl]-2,5-dimethoxy-phenyl]methyl]propanedioate
SMILES [?]:
CCOC(=O)C(Cc1cc(c(cc1OC)CC(C(=O)OCC)C(=O)OCC)OC)C(=O)OCC
InChi [?]:
InChI=1/C24H34O10/c1-7-31-21(25)17(22(26)32-8-2)11-15-13-20(30-6)16(14-19(15)29-5)12-18(23(27)33-9-3)24(28)34-10-4/h13-14,17-18H,7-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,34,22,27,15,29,2,33,21,26,7,16,9,12,8,11,6,17,13,10,4,30,18,23,5,31,19,24,14,28,3,32,20,25/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)/rA:34nCCOCOCCCCCCCCOCCCCOOCCCOOCCOCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;s21;s17;d23;s23;s25;s26;s10;s28;s6;d30;s30;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34O10 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1272 |
Area: | 759.135 |
Solvation: | -5.85113 |
Coulombic: | -87.4561 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 482.521 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|