1-Methyl-3-propan-2-yloxycyclohexane
PubChem CID: 5319690
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL8295326 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3-propan-2-yloxycyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LXJQGSJHOKQAPO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.885 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.188 |
| Compound Name | 1-Methyl-3-propan-2-yloxycyclohexane |
| Prediction Hob Swissadme | 0.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6424678 |
| Inchi | InChI=1S/C10H20O/c1-8(2)11-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3 |
| Smiles | CC1CCCC(C1)OC(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phedimus Kamtschaticus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sedum Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients