Chemical ID: 5654757

Cc1ccc2c(cc(=O)oc2c1)COC(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5654757
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl adamantane-1-carboxylate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H24O4/c1-13-2-3-18-17(8-20(23)26-19(18)4-13)12-25-21(24)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,20,23,25,7,22,18,26,13,2,21,19,24,6,5,11,8,15,17,9,16,14,10/E:(5,6,7)(9,10,11)(14,15,16)/rA:26nCCCCCCCCOOCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7833
Area:539.013
Solvation:-2.69204
Coulombic:-39.3679
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.424
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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