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Chemical ID: 6492884
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
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Experimental Annotations
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Descriptor Annotations
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