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Chemical ID: 3966609
Chemical ID:
3966609
Name [?]:
ethyl 9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
SMILES [?]:
CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(cc(c(c1C)C)OC)C
InChi [?]:
InChI=1/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,13,8,26,22,23,25,2,10,11,9,14,15,6,18,12,7,17,21,20,16,19,4,5,24,3/rA:26nCCOCOCCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s7;w9;s10;w11;s12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s19;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5434 |
Area: | 539.464 |
Solvation: | -2.94321 |
Coulombic: | -29.8317 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 4 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.483 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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