7-Octen-3-ol, 3,7-dimethyl-
PubChem CID: 557859
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isocitronellol, 7-Octen-3-ol, 3,7-dimethyl-, 18479-52-2, 3,7-dimethyl-oct-7-en-3-ol, DTXSID70339692 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyloct-7-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZUNWNXABIHDLFJ-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.018 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.391 |
| Compound Name | 7-Octen-3-ol, 3,7-dimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4507678 |
| Inchi | InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h11H,2,5-8H2,1,3-4H3 |
| Smiles | CCC(C)(CCCC(=C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients