Chemical ID: 5767307

c1cc2c(cc1C=O)OCCOCCOCCOCCO2
Chemical ID:
5767307
Name [?]:
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene-17-carbaldehyde
SMILES [?]:
c1cc2c(cc1C=O)OCCOCCOCCOCCO2
InChi [?]:
InChI=1/C15H20O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11-12H,3-10H2
InChi Info:
AuxInfo=1/0/N:1,2,16,14,17,13,19,11,20,10,5,7,6,3,4,8,15,18,12,21,9/rA:21nCCCCCCCOOCCOCCOCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.55223
Area:465.499
Solvation:-7.08524
Coulombic:-48.2268
Bond Count [?]
All:22
Single:18
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:296.316
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.77
LogP (Chemaxon):0.54

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Descriptor Annotations

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