Chemical ID: 6562235

CC1CC(=Cc2ccc(cc2OC)OC)C(=O)C(=Cc3ccc(cc3OC)OC)C1
Chemical ID:
6562235
Name [?]:
2,6-bis[(2,4-dimethoxyphenyl)methylene]-4-methyl-cyclohexan-1-one
SMILES [?]:
CC1CC(=Cc2ccc(cc2OC)OC)C(=O)C(=Cc3ccc(cc3OC)OC)C1
InChi [?]:
InChI=1/C25H28O5/c1-16-10-19(12-17-6-8-21(27-2)14-23(17)29-4)25(26)20(11-16)13-18-7-9-22(28-3)15-24(18)30-5/h6-9,12-16H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,15,29,13,27,7,21,8,22,3,30,5,19,10,24,2,6,20,4,18,9,23,11,25,16,17,14,28,12,26/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(27,28)(29,30)/rA:30nCCCCCCCCCCCOCOCCOCCCCCCCCOCOCC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s4;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.19174
Area:636.804
Solvation:-6.72835
Coulombic:-38.9289
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:408.487
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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