(3R)-3-methyltetradecan-2-one
PubChem CID: 15102951
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methyltetradecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C15H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGGZXUGDWBYKMS-CQSZACIVSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -5.673 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.447 |
| Compound Name | (3R)-3-methyltetradecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.436304799999999 |
| Inchi | InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-13-14(2)15(3)16/h14H,4-13H2,1-3H3/t14-/m1/s1 |
| Smiles | CCCCCCCCCCC[C@@H](C)C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients