(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
PubChem CID: 162879935
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | YXIFOKDKHGSQOB-GXBUMDJISA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 1.0 |
| Esol | -3.0453001999999993 |
| Inchi | InChI=1S/C15H26O2/c1-5-15(4,17)11-7-10-13(2)8-6-9-14(3)12-16/h5,9-10,16-17H,1,6-8,11-12H2,2-4H3/b13-10+,14-9+/t15-/m1/s1 |
| Smiles | C/C(=C\CC[C@@](C)(C=C)O)/CC/C=C(\C)/CO |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C15H26O2 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Monosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Denudata (Plant) Rel Props:Source_db:cmaup_ingredients