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Chemical ID: 5643123
Chemical ID:
5643123
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-7-isopropoxy-6-isopropyl-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2cc(c(cc2o1)OC(C)C)C(C)C)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C24H26O5/c1-13(2)17-11-18-21(12-20(17)28-14(3)4)29-15(5)23(24(18)25)16-6-7-19-22(10-16)27-9-8-26-19/h6-7,10-14H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:18,19,15,16,1,21,22,28,27,25,7,10,17,14,2,20,8,6,23,9,11,24,3,4,5,29,26,13,12/E:(1,2)(3,4)/rA:29nCCCCOCCCCCCOOCCCCCCCCCCCCOCCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s14;s8;s17;s17;s3;s20;d21;s22;d23;d20s24;s24;s26;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5572 |
Area: | 608.904 |
Solvation: | -4.66537 |
Coulombic: | -40.4262 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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