7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.
PubChem CID: 87671
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| Compound Synonyms | 2-Methyl-6-methyleneoctan-2-ol, 2-methyl-6-methylideneoctan-2-ol, 2-Methyl-6-methylene-2-octanol, 18479-59-9, 53219-21-9, 7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv., K3X4ZY821W, 2-Octanol, 2-methyl-6-methylene-, UNII-K3X4ZY821W, Dihydro myrcenol, EINECS 242-364-5, dihydromyrcenol, AldrichCPR, SCHEMBL613950, dihydromyrcenol dihydro derivative, DTXSID40171662, 6-Ethyl-2-methyl-6-hepten-2-ol #, AKOS006228074, NS00012252, Q27281920 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-methylideneoctan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | VOATZOQREKBJMT-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.861 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.227 |
| Compound Name | 7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv. |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3940678 |
| Inchi | InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/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 Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients