Chemical ID: 6504114

COc1ccc(c(c1)C(=O)CCCCCCCCC(=O)c2cc(ccc2OC)OC)OC
Chemical ID:
6504114
Name [?]:
1,10-bis(2,5-dimethoxyphenyl)decane-1,10-dione
SMILES [?]:
COc1ccc(c(c1)C(=O)CCCCCCCCC(=O)c2cc(ccc2OC)OC)OC
InChi [?]:
InChI=1/C26H34O6/c1-29-19-13-15-25(31-3)21(17-19)23(27)11-9-7-5-6-8-10-12-24(28)22-18-20(30-2)14-16-26(22)32-4/h13-18H,5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,32,28,14,15,13,16,12,17,11,18,4,24,5,25,8,22,3,23,7,21,9,19,6,26,10,20,2,29,31,27/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)(29,30)(31,32)/rA:32nCOCCCCCCCOCCCCCCCCCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s27;s23;s29;s6;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:8.62752
Area:745.5
Solvation:-10.01
Coulombic:-41.3767
Bond Count [?]
All:33
Single:25
Double:8
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:442.545
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.83
LogP (Chemaxon):4.04

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Experimental Annotations

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Descriptor Annotations

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