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Chemical ID: 6450024
Chemical ID:
6450024
Name [?]:
1-ethyl-4-[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
SMILES [?]:
CCc1ccc(cc1)OCCOCCOc2ccc(cc2)CC
InChi [?]:
InChI=1/C20H26O3/c1-3-17-5-9-19(10-6-17)22-15-13-21-14-16-23-20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,4,8,18,20,5,7,17,21,11,13,10,14,3,19,6,16,12,9,15/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(22,23)/rA:23nCCCCCCCCOCCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57685 |
Area: | 578.602 |
Solvation: | -5.88821 |
Coulombic: | -24.3526 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 314.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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