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Chemical ID: 5788199
Chemical ID:
5788199
Name [?]:
6-[2-(2-butoxyethoxy)ethoxymethyl]-5-propyl-benzo[1,3]dioxole
SMILES [?]:
CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
InChi [?]:
InChI=1/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,20,3,19,4,6,7,9,10,17,14,12,23,18,13,16,15,5,8,11,22,24/rA:24nCCCCOCCOCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;s22;s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00771 |
Area: | 618.426 |
Solvation: | -7.45294 |
Coulombic: | -40.4554 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 338.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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