Chemical ID: 6683898

C1CCC2C(C1)OCCOCCOCCOCCOCCO2
Chemical ID:
6683898
Name [?]:
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILES [?]:
C1CCC2C(C1)OCCOCCOCCOCCOCCO2
InChi [?]:
InChI=1/C16H30O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h15-16H,1-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,15,12,17,11,18,9,20,8,21,5,4,13,16,10,19,7,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22cCCCCCCOCCOCCOCCOCCOCCO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H30O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:1.24591
Area:493.655
Solvation:-11.0955
Coulombic:-44.5843
Bond Count [?]
All:23
Single:23
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:318.406
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.16
LogP (Chemaxon):0.27

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