Chemical ID: 6623277

COc1ccc(cc1OC)C=C2CCCCC(=Cc3ccc(c(c3)OC)OC)C2=O
Chemical ID:
6623277
Name [?]:
2,7-bis[(3,4-dimethoxyphenyl)methylene]cycloheptan-1-one
SMILES [?]:
COc1ccc(cc1OC)C=C2CCCCC(=Cc3ccc(c(c3)OC)OC)C2=O
InChi [?]:
InChI=1/C25H28O5/c1-27-21-11-9-17(15-23(21)29-3)13-19-7-5-6-8-20(25(19)26)14-18-10-12-22(28-2)24(16-18)30-4/h9-16H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,10,26,14,15,13,16,5,20,4,21,11,18,7,24,6,19,12,17,3,22,8,23,29,30,2,27,9,25/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)(27,28)(29,30)/rA:30nCOCCCCCCOCCCCCCCCCCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;s14;s15;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s12s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.73426
Area:631.086
Solvation:-9.04288
Coulombic:-37.9826
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:4.12
LogP (Chemaxon):4.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue