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Chemical ID: 5047571
Chemical ID:
5047571
Name [?]:
1-cyclohexyl-4-[3-(4-cyclohexylphenoxy)propoxy]benzene
SMILES [?]:
c1cc(ccc1C2CCCCC2)OCCCOc3ccc(cc3)C4CCCCC4
InChi [?]:
InChI=1/C27H36O2/c1-3-8-22(9-4-1)24-12-16-26(17-13-24)28-20-7-21-29-27-18-14-25(15-19-27)23-10-5-2-6-11-23/h12-19,22-23H,1-11,20-21H2
InChi Info:
AuxInfo=1/0/N:10,27,9,11,26,28,15,8,12,25,29,1,5,20,22,2,4,19,23,14,16,7,24,6,21,3,18,13,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13,14,15)(16,17,18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/rA:29nCCCCCCCCCCCCOCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s3;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H36O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.207 |
Area: | 668.601 |
Solvation: | -3.50805 |
Coulombic: | -19.2678 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.574 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 8.3 |
LogP (Chemaxon): | 7.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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