Chemical ID: 5838980

CCC(C)Oc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)OC(C)CC
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

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Descriptor Annotations

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