Chemical ID: 5003101

CCOc1ccc(cc1)C(=O)CCCC(=O)c2ccc(cc2)OCC
Chemical ID:
5003101
Name [?]:
1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
SMILES [?]:
CCOc1ccc(cc1)C(=O)CCCC(=O)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C21H24O4/c1-3-24-18-12-8-16(9-13-18)20(22)6-5-7-21(23)17-10-14-19(15-11-17)25-4-2/h8-15H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,24,13,12,14,6,8,18,22,5,9,19,21,7,17,4,20,10,15,11,16,3,23/E:(1,2)(3,4)(6,7)(8,9,10,11)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/rA:25nCCOCCCCCCCOCCCCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.29798
Area:607.339
Solvation:-5.8855
Coulombic:-30.5928
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:340.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):3.25

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Descriptor Annotations

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