3-Methyl-2-octanol
PubChem CID: 542298
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| Compound Synonyms | 3-Methyl-2-octanol, 2-Octanol, 3-methyl, 2-Octanol, 3-methyl-, 27644-49-1, 3-Methyl-2-octanol #, SCHEMBL1658298, DTXSID50337378, AKOS011020520 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyloctan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQADSKJNOTZWML-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.321 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.025 |
| Compound Name | 3-Methyl-2-octanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4770996 |
| Inchi | InChI=1S/C9H20O/c1-4-5-6-7-8(2)9(3)10/h8-10H,4-7H2,1-3H3 |
| Smiles | CCCCCC(C)C(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients