Chemical ID: 4555847

CCCc1cc2c(cc1OC)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
Chemical ID:
4555847
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-7-methoxy-2-methyl-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1OC)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
InChi [?]:
InChI=1/C22H22O5/c1-4-5-14-10-16-19(12-18(14)24-3)27-13(2)21(22(16)23)15-6-7-17-20(11-15)26-9-8-25-17/h6-7,10-12H,4-5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,11,2,3,18,19,25,24,5,22,8,13,4,17,6,20,9,7,21,14,15,16,10,26,23,12/rA:27nCCCCCCCCCOCOCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s6s14;d15;s14;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.39105
Area:570.059
Solvation:-4.86041
Coulombic:-39.8999
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):4.19

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Descriptor Annotations

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