Chemical ID: 6690248

CCCCCCOc1cc(c(cc1C=O)OCCCCCC)C=O
Chemical ID:
6690248
Name [?]:
2,5-dihexoxyterephthalaldehyde
SMILES [?]:
CCCCCCOc1cc(c(cc1C=O)OCCCCCC)C=O
InChi [?]:
InChI=1/C20H30O4/c1-3-5-7-9-11-23-19-13-18(16-22)20(14-17(19)15-21)24-12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,20,4,19,5,18,6,17,9,12,14,23,13,10,8,11,15,24,7,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCOCCCCCCCOOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s11;s16;s17;s18;s19;s20;s21;s10;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.9976
Area:631.484
Solvation:-3.78951
Coulombic:-32.3078
Bond Count [?]
All:24
Single:19
Double:5
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:334.45
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):4.89

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