2,6-Dimethyl-octa-2,6-dien-1-ol
PubChem CID: 5363122
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| Compound Synonyms | 2,6-Dimethyl-octa-2,6-dien-1-ol, SCHEMBL1537137, YBMZLRMHVXVHJG-SXFWLWNESA-N, (2E,6E)-2,6-Dimethyl-2,6-octadien-1-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-2,6-dimethylocta-2,6-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YBMZLRMHVXVHJG-SXFWLWNESA-N |
| Fcsp3 | 0.6 |
| Logs | -2.509 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.787 |
| Compound Name | 2,6-Dimethyl-octa-2,6-dien-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.3593686 |
| Inchi | InChI=1S/C10H18O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,5-6,8H2,1-3H3/b9-4+,10-7+ |
| Smiles | C/C=C(\C)/CC/C=C(\C)/CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients