Chemical ID: 6492884

COc1ccc(c(c1)C(=O)CCCCCCCCC(=O)O)OC
Chemical ID:
6492884
Name [?]:
10-(2,5-dimethoxyphenyl)-10-oxo-decanoic acid
SMILES [?]:
COc1ccc(c(c1)C(=O)CCCCCCCCC(=O)O)OC
InChi [?]:
InChI=1/C18H26O5/c1-22-14-11-12-17(23-2)15(13-14)16(19)9-7-5-3-4-6-8-10-18(20)21/h11-13H,3-10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,14,15,13,16,12,17,11,18,4,5,8,3,7,9,6,19,10,20,21,2,22/E:(20,21)/rA:23nCOCCCCCCCOCCCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;s6;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.24094
Area:586.485
Solvation:-6.42119
Coulombic:-46.809
Bond Count [?]
All:23
Single:18
Double:5
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:322.396
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.02

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