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Chemical ID: 5838980
Chemical ID:
5838980
Name [?]:
1-sec-butoxy-4-[4-(4-sec-butoxyphenyl)phenyl]-benzene
SMILES [?]:
CCC(C)Oc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)OC(C)CC
InChi [?]:
InChI=1/C26H30O2/c1-5-19(3)27-25-15-11-23(12-16-25)21-7-9-22(10-8-21)24-13-17-26(18-14-24)28-20(4)6-2/h7-20H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,4,26,2,27,13,17,14,16,8,10,19,23,7,11,20,22,3,25,12,15,9,18,6,21,5,24/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)(27,28)/rA:28cCCCCOCCCCCCCCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.7139 |
Area: | 638.534 |
Solvation: | -3.24942 |
Coulombic: | -19.8106 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.515 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 8.21 |
LogP (Chemaxon): | 7.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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