Chemical ID: 5756319

CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)C=Cc2ccc3c(c2)OCO3
Chemical ID:
5756319
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] decanoate
SMILES [?]:
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)C=Cc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C26H30O5/c1-2-3-4-5-6-7-8-9-26(28)31-22-14-12-21(13-15-22)23(27)16-10-20-11-17-24-25(18-20)30-19-29-24/h10-18H,2-9,19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,22,24,15,17,14,18,21,25,28,30,23,16,13,19,26,27,10,20,11,31,29,12/E:(12,13)(14,15)/rA:31nCCCCCCCCCCOOCCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4109
Area:712.103
Solvation:-4.39169
Coulombic:-46.0691
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:422.513
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.63
LogP (Chemaxon):6.6

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