Dodeca-1,3,5-trien-1-OL
PubChem CID: 71369370
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| Compound Synonyms | DODECA-1,3,5-TRIEN-1-OL, 66467-21-8, DTXSID40792396 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodeca-1,3,5-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C12H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | CXJSBFUGEDXLPB-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.11 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.151 |
| Compound Name | Dodeca-1,3,5-trien-1-OL |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.4064041999999994 |
| Inchi | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-13H,2-6H2,1H3 |
| Smiles | CCCCCCC=CC=CC=CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients