Dehydro-delta-tocopherol
PubChem CID: 15839186
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dehydro-delta-tocopherol, 802909-72-4, Dehydro-, A-tocopherol, 2H-1-Benzopyran-6-ol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol, Dehydro-?-tocopherol, CHB90972, HY-N3713, AKOS032948887, DA-72642, CS-0024103 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 9.9 |
| Molecular Formula | C27H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEGYJQTVMVOWKC-UHFFFAOYSA-N |
| Fcsp3 | 0.7037037037037037 |
| Logs | -3.298 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.145 |
| Compound Name | Dehydro-delta-tocopherol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 400.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 400.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.928414848275864 |
| Inchi | InChI=1S/C27H44O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h15,17-22,28H,7-14,16H2,1-6H3 |
| Smiles | CC1=CC(=CC2=C1OC(C=C2)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients