Chemical ID: 7467776

CC(C)(C)c1ccc(c(c1)C(C)(C)C)OC(=O)C=Cc2ccc(c(c2)OC)OC
Chemical ID:
7467776
Name [?]:
(2,4-ditert-butylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
CC(C)(C)c1ccc(c(c1)C(C)(C)C)OC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C25H32O4/c1-24(2,3)18-11-13-20(19(16-18)25(4,5)6)29-23(26)14-10-17-9-12-21(27-7)22(15-17)28-8/h9-16H,1-8H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,14,29,27,21,19,6,22,7,18,25,10,20,5,9,8,23,24,16,2,11,17,28,26,15/E:(1,2,3)(4,5,6)/rA:29nCCCCCCCCCCCCCCOCOCCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;s11;s11;s8;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32O4
All Atoms:61
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6886
Area:637.629
Solvation:-5.25213
Coulombic:-36.3183
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:396.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.78
LogP (Chemaxon):6.62

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Descriptor Annotations

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