Chemical ID: 5854854

CCC(C)c1ccc(cc1)OC(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
5854854
Name [?]:
(4-sec-butylphenyl) 3,4,5-trimethoxybenzoate
SMILES [?]:
CCC(C)c1ccc(cc1)OC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H24O5/c1-6-13(2)14-7-9-16(10-8-14)25-20(21)15-11-17(22-3)19(24-5)18(12-15)23-4/h7-13H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,4,21,25,23,2,6,10,7,9,19,15,3,5,14,8,18,16,17,12,13,20,24,22,11/E:(3,4)(7,8)(9,10)(11,12)(17,18)(22,23)/rA:25cCCCCCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.59946
Area:577.699
Solvation:-5.84302
Coulombic:-42.5254
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:344.402
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):4.11

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Descriptor Annotations

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