Chemical ID: 5086868

c1ccc(cc1)CCC(=O)CC(=O)CCCCCCC(=O)CC(=O)CCc2ccccc2
Chemical ID:
5086868
Name [?]:
1,16-diphenylhexadecane-3,5,12,14-tetraone
SMILES [?]:
c1ccc(cc1)CCC(=O)CC(=O)CCCCCCC(=O)CC(=O)CCc2ccccc2
InChi [?]:
InChI=1/C28H34O4/c29-25(21-27(31)19-17-23-11-5-3-6-12-23)15-9-1-2-10-16-26(30)22-28(32)20-18-24-13-7-4-8-14-24/h3-8,11-14H,1-2,9-10,15-22H2
InChi Info:
AuxInfo=1/0/N:16,17,1,30,2,6,29,31,15,18,3,5,28,32,14,19,7,26,8,25,11,22,4,27,12,20,9,23,13,21,10,24/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:32nCCCCCCCCCOCCOCCCCCCCOCCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s12;s14;s15;s16;s17;s18;s19;d20;s20;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.3634
Area:772.737
Solvation:-8.95503
Coulombic:-24.8253
Bond Count [?]
All:33
Single:23
Double:10
Rotors:17
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:434.567
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):7.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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