(6E,10E,14E,17R,18Z)-18-ethylidene-2,6,10,15,17,21-hexamethyldocosa-2,6,10,14,20-pentaene
PubChem CID: 162996445
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 650.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6E,10E,14E,17R,18Z)-18-ethylidene-2,6,10,15,17,21-hexamethyldocosa-2,6,10,14,20-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 11.6 |
| Molecular Formula | C30H50 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YKTUEIIONGIOBY-HRJJUVKVSA-N |
| Fcsp3 | 0.6 |
| Logs | -7.047 |
| Rotatable Bond Count | 14.0 |
| Logd | 7.116 |
| Compound Name | (6E,10E,14E,17R,18Z)-18-ethylidene-2,6,10,15,17,21-hexamethyldocosa-2,6,10,14,20-pentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 410.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -8.776826000000002 |
| Inchi | InChI=1S/C30H50/c1-10-30(22-21-25(4)5)29(9)23-28(8)17-12-11-16-26(6)19-14-20-27(7)18-13-15-24(2)3/h10,15-17,20-21,29H,11-14,18-19,22-23H2,1-9H3/b26-16+,27-20+,28-17+,30-10-/t29-/m1/s1 |
| Smiles | C/C=C(/CC=C(C)C)\[C@H](C)C/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Source_db:cmaup_ingredients