Chemical ID: 4566420

CCCc1cc2c(cc1OC(=O)c3ccccc3OC)oc(c(c2=O)c4ccc5c(c4)OCCO5)C
Chemical ID:
4566420
Name [?]:
[3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] 2-methoxybenzoate
SMILES [?]:
CCCc1cc2c(cc1OC(=O)c3ccccc3OC)oc(c(c2=O)c4ccc5c(c4)OCCO5)C
InChi [?]:
InChI=1/C29H26O7/c1-4-7-18-14-21-25(16-24(18)36-29(31)20-8-5-6-9-22(20)32-3)35-17(2)27(28(21)30)19-10-11-23-26(15-19)34-13-12-33-23/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,20,2,15,16,3,14,17,27,28,34,33,5,31,8,22,4,26,13,6,18,29,9,7,30,23,24,11,25,12,19,35,32,21,10/rA:36nCCCCCCCCCOCOCCCCCCOCOCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s7;s21;d22;s6s23;d24;s23;s26;d27;s28;d29;d26s30;s30;s32;s33;s29s34;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.5416
Area:716.729
Solvation:-6.37667
Coulombic:-59.4902
Bond Count [?]
All:40
Single:28
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:486.513
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.07
LogP (Chemaxon):5.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue