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Chemical ID: 4285451
Chemical ID:
4285451
Name [?]:
1-tert-butyl-4-[4-(4-tert-butylphenoxy)butoxy]benzene
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCCOc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C24H34O2/c1-23(2,3)19-9-13-21(14-10-19)25-17-7-8-18-26-22-15-11-20(12-16-22)24(4,5)6/h9-16H,7-8,17-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,24,25,26,13,14,6,10,19,21,7,9,18,22,12,15,5,20,8,17,2,23,11,16/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)/rA:26nCCCCCCCCCCOCCCCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4778 |
Area: | 629.154 |
Solvation: | -3.25103 |
Coulombic: | -19.1966 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 8.01 |
LogP (Chemaxon): | 7.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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