Chemical ID: 6504482

COc1ccc(cc1OC)C(=O)CCCCC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
6504482
Name [?]:
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-dione
SMILES [?]:
COc1ccc(cc1OC)C(=O)CCCCC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C22H26O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,10,26,14,15,13,16,5,20,4,21,7,24,6,19,11,17,3,22,8,23,12,18,2,27,9,25/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:28nCOCCCCCCOCCOCCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.35994
Area:648.196
Solvation:-9.84495
Coulombic:-42.9358
Bond Count [?]
All:29
Single:21
Double:8
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:386.438
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.01
LogP (Chemaxon):2.45

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Descriptor Annotations

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