(2R)-1-iodo-2-methylundecane
PubChem CID: 102424794
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-iodo-2-methylundecane |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C12H25I |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTWBFGUVCAVDFO-GFCCVEGCSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.62 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.145 |
| Compound Name | (2R)-1-iodo-2-methylundecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.1 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 296.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.606063199999999 |
| Inchi | InChI=1S/C12H25I/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-11H2,1-2H3/t12-/m1/s1 |
| Smiles | CCCCCCCCC[C@@H](C)CI |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients