Chemical ID: 4565723

CCCCCCc1c(c2ccc(c(c2oc1=O)C)OC(=O)c3ccco3)C
Chemical ID:
4565723
Name [?]:
(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl) furan-2-carboxylate
SMILES [?]:
CCCCCCc1c(c2ccc(c(c2oc1=O)C)OC(=O)c3ccco3)C
InChi [?]:
InChI=1/C22H24O5/c1-4-5-6-7-9-17-14(2)16-11-12-18(15(3)20(16)27-21(17)23)26-22(24)19-10-8-13-25-19/h8,10-13H,4-7,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,18,2,3,4,5,24,6,23,10,11,25,8,13,9,7,12,22,14,16,20,17,21,26,19,15/rA:27nCCCCCCCCCCCCCCOCOCOCOCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;s13;s12;s19;d20;s20;d22;s23;d24;s22s25;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6582
Area:604.074
Solvation:-3.44368
Coulombic:-48.2968
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.423
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.44
LogP (Chemaxon):5.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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