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Chemical ID: 5227950
Chemical ID:
5227950
Name [?]:
1,4,7,10,13,16-hexaoxacyclohenicosane-17,21-dione
SMILES [?]:
C1CC(=O)OCCOCCOCCOCCOCCOC(=O)C1
InChi [?]:
InChI=1/C15H26O8/c16-14-2-1-3-15(17)23-13-11-21-9-7-19-5-4-18-6-8-20-10-12-22-14/h1-13H2
InChi Info:
AuxInfo=1/0/N:1,2,23,12,13,10,15,9,16,7,18,6,19,3,21,4,22,11,14,8,17,5,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/rA:23nCCCOOCCOCCOCCOCCOCCOCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s1s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26O8 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48185 |
Area: | 547.296 |
Solvation: | -7.20055 |
Coulombic: | -69.0398 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 334.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | -0.68 |
LogP (Chemaxon): | -0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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