Chemical ID: 6689339

CC(=O)CCCCCCCCCCCCC(=O)C
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.

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