4-Octen-3-ol, 2,2-dimethyl-
PubChem CID: 5365109
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| Compound Synonyms | 4-Octen-3-ol, 2,2-dimethyl-, JDLUVPHVGCJDIH-BQYQJAHWSA-N, (E)-2,2-dimethyl-oct-4-en-3-ol, (4E)-2,2-Dimethyl-4-octen-3-ol, (4E)-2,2-Dimethyl-4-octen-3-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 | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2,2-dimethyloct-4-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JDLUVPHVGCJDIH-BQYQJAHWSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.395 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.678 |
| Compound Name | 4-Octen-3-ol, 2,2-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 | 1.0 |
| Esol | -2.5293678 |
| Inchi | InChI=1S/C10H20O/c1-5-6-7-8-9(11)10(2,3)4/h7-9,11H,5-6H2,1-4H3/b8-7+ |
| Smiles | CCC/C=C/C(C(C)(C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients