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Chemical ID: 6164352
Chemical ID:
6164352
Name [?]:
3-ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCCOCCOc2ccc(cc2)C)C=O
InChi [?]:
InChI=1/C20H24O5/c1-3-23-20-14-17(15-21)6-9-19(20)25-13-11-22-10-12-24-18-7-4-16(2)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,19,21,7,18,22,8,14,12,15,11,5,24,20,6,17,9,4,25,13,3,16,10/E:(4,5)(7,8)/rA:25nCCOCCCCCCOCCOCCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s6;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.71495 |
Area: | 611.105 |
Solvation: | -9.56267 |
Coulombic: | -35.8018 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 344.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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