Chemical ID: 5788199

CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
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

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Descriptor Annotations

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