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Chemical ID: 6683898
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
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Experimental Annotations
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Descriptor Annotations
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