Chemical ID: 6486187

Cc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)C(C)(C)C
Chemical ID:
6486187
Name [?]:
[4-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 2,2-dimethylpropanoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)C(C)(C)C
InChi [?]:
InChI=1/C21H22O3/c1-15-5-10-17(11-6-15)19(22)14-9-16-7-12-18(13-8-16)24-20(23)21(2,3)4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,23,24,3,7,13,17,11,4,6,14,16,10,2,12,5,15,8,19,21,9,20,18/E:(2,3,4)(5,6)(7,8)(10,11)(12,13)/rA:24nCCCCCCCCOCCCCCCCCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8645
Area:551.809
Solvation:-2.93073
Coulombic:-29.6832
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:322.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.82
LogP (Chemaxon):5.83

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