ChemDB: Chemical Search
Download
Chemical ID: 5086868
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|