Chemical ID: 5465569

Cc1ccc2c(cc(=O)oc2c1)COC(=O)C3CCC(CC3)C(C)(C)C
Chemical ID:
5465569
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 4-tert-butylcyclohexane-1-carboxylate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)C3CCC(CC3)C(C)(C)C
InChi [?]:
InChI=1/C22H28O4/c1-14-5-10-18-16(12-20(23)26-19(18)11-14)13-25-21(24)15-6-8-17(9-7-15)22(2,3)4/h5,10-12,15,17H,6-9,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,3,18,22,19,21,4,12,7,13,2,17,6,20,5,11,8,15,23,9,16,14,10/E:(2,3,4)(6,7)(8,9)/rA:26nCCCCCCCCOOCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8216
Area:584.009
Solvation:-2.7786
Coulombic:-39.6297
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.455
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.16
LogP (Chemaxon):5.54

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Descriptor Annotations

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