ChemDB: Chemical Search
Download
Chemical ID: 6689339
Chemical ID:
6689339
Name [?]:
hexadecane-2,15-dione
SMILES [?]:
CC(=O)CCCCCCCCCCCCC(=O)C
InChi [?]:
InChI=1/C16H30O2/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(2)18/h3-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,9,10,8,11,7,12,6,13,5,14,4,15,2,16,3,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCOCCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6018 |
Area: | 552.991 |
Solvation: | -3.22297 |
Coulombic: | -14.765 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 254.408 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.68 |
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 |
---|