Chemical ID: 5781427

CCOC(=O)COc1cc2c(cc1C(C)c3cc(c(c(c3)OC)OC)OC)OCO2
Chemical ID:
5781427
Name [?]:
ethyl 2-[6-[1-(3,4,5-trimethoxyphenyl)ethyl]benzo[1,3]dioxol-5-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1cc2c(cc1C(C)c3cc(c(c(c3)OC)OC)OC)OCO2
InChi [?]:
InChI=1/C22H26O8/c1-6-27-21(23)11-28-16-10-18-17(29-12-30-18)9-15(16)13(2)14-7-19(24-3)22(26-5)20(8-14)25-4/h7-10,13H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,15,23,27,25,2,21,17,12,9,6,29,14,16,13,8,11,10,20,18,4,19,5,22,26,24,3,7,28,30/E:(3,4)(7,8)(19,20)(24,25)/rA:30cCCOCOCOCCCCCCCCCCCCCCOCOCOCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s11;s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26O8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:6.93674
Area:642.67
Solvation:-9.13
Coulombic:-64.1311
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:418.437
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.34
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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