(6Z,8E,10Z,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
PubChem CID: 101467043
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1050.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,8E,10Z,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene |
| Prediction Hob | 0.0 |
| Xlogp | 15.6 |
| Molecular Formula | C40H56 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAIJSZIZWZSQBC-HVDZRQMKSA-N |
| Fcsp3 | 0.35 |
| Logs | -6.28 |
| Rotatable Bond Count | 16.0 |
| Logd | 5.822 |
| Compound Name | (6Z,8E,10Z,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 536.438 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.438 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 536.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 11.0 |
| Esol | -11.915505600000003 |
| Inchi | InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27-,38-28+,39-29-,40-30+ |
| Smiles | CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C=C(\C)/CCC=C(C)C)/C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 11.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients