(4E,8Z,12Z,16E)-5,9,13,17,21-pentamethyl-2-prop-1-en-2-yldocosa-4,8,12,16,20-pentaen-1-ol
PubChem CID: 5315119
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,8Z,12Z,16E)-5,9,13,17,21-pentamethyl-2-prop-1-en-2-yldocosa-4,8,12,16,20-pentaen-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 10.5 |
| Molecular Formula | C30H50O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMSQHPKNHFHAKB-NVRDDEHMSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.418 |
| Rotatable Bond Count | 16.0 |
| Logd | 5.638 |
| Compound Name | (4E,8Z,12Z,16E)-5,9,13,17,21-pentamethyl-2-prop-1-en-2-yldocosa-4,8,12,16,20-pentaen-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -8.013219800000002 |
| Inchi | InChI=1S/C30H50O/c1-24(2)13-9-14-26(5)15-10-16-27(6)17-11-18-28(7)19-12-20-29(8)21-22-30(23-31)25(3)4/h13,15,17,19,21,30-31H,3,9-12,14,16,18,20,22-23H2,1-2,4-8H3/b26-15+,27-17-,28-19-,29-21+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C/CC(CO)C(=C)C)/C)/C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients