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Chemical ID: 5047555
Chemical ID:
5047555
Name [?]:
1-methyl-2-[2-[2-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
SMILES [?]:
Cc1ccccc1OCCOCCOCCOCCOc2ccccc2C
InChi [?]:
InChI=1/C22H30O5/c1-19-7-3-5-9-21(19)26-17-15-24-13-11-23-12-14-25-16-18-27-22-10-6-4-8-20(22)2/h3-10H,11-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,4,24,5,23,3,25,6,22,13,15,12,16,10,18,9,19,2,26,7,21,14,11,17,8,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(24,25)(26,27)/rA:27nCCCCCCCOCCOCCOCCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88845 |
Area: | 671.914 |
Solvation: | -9.90941 |
Coulombic: | -38.2332 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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