ChemDB: Chemical Search
Download
Chemical ID: 5465569
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|