(12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene
PubChem CID: 16061225
Connections displayed (default: 10).
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| Compound Synonyms | LMPR01070084 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 759.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene |
| Prediction Hob | 0.0 |
| Xlogp | 16.7 |
| Molecular Formula | C40H68 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIUDAKDLOLDEGU-JPZSZRNLSA-N |
| Fcsp3 | 0.65 |
| Logs | -7.369 |
| Rotatable Bond Count | 22.0 |
| Logd | 7.658 |
| Compound Name | (12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.532 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.532 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 549.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -12.319000800000003 |
| Inchi | InChI=1S/C40H68/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-26,37-40H,13-14,17-18,23-24,27-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+ |
| Smiles | CC(CCC=C(C)C)CCCC(C/C=C/C(=C/C=C\C=C(\C=C\CC(CCCC(CCC=C(C)C)C)C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 5.0 |
- 1. Outgoing r'ship
FOUND_INto/from Averrhoa Carambola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Viola Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients