1-Methoxyadamantane
PubChem CID: 584854
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| Compound Synonyms | 1-Methoxyadamantane, 6221-74-5, 1-Adamantyl methyl ether #, SCHEMBL727714, SCHEMBL10584195, ALBB-035049, AKOS040766678 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxyadamantane |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VLBPHZFRABGLFH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.4 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.771 |
| Compound Name | 1-Methoxyadamantane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8397368 |
| Inchi | InChI=1S/C11H18O/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3 |
| Smiles | COC12CC3CC(C1)CC(C3)C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients