Chemical ID: 5781825

CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(c(c3OC)OC)OC
Chemical ID:
5781825
Name [?]:
[4-[3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(c(c3OC)OC)OC
InChi [?]:
InChI=1/C29H30O6/c1-29(2,3)22-13-7-21(8-14-22)28(31)35-23-15-9-19(10-16-23)24(30)17-11-20-12-18-25(32-4)27(34-6)26(20)33-5/h7-18H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,35,31,33,7,9,16,18,23,25,6,10,15,19,22,26,17,24,8,5,14,20,27,29,28,11,2,21,12,34,30,32,13/E:(1,2,3)(7,8)(9,10)(13,14)(15,16)/rA:35nCCCCCCCCCCCOOCCCCCCCOCCCCCCCCOCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;s29;s30;s28;s32;s27;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.0803
Area:737.68
Solvation:-6.36169
Coulombic:-54.0358
Bond Count [?]
All:37
Single:25
Double:12
Rotors:10
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:474.545
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.51
LogP (Chemaxon):6.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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