(s)-3-Methyl-nonane
PubChem CID: 12859936
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| Compound Synonyms | (s)-3-methyl-nonane, PLZDDPSCZHRBOY-JTQLQIEISA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-methylnonane |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C10H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLZDDPSCZHRBOY-JTQLQIEISA-N |
| Fcsp3 | 1.0 |
| Logs | -3.525 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.189 |
| Compound Name | (s)-3-Methyl-nonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6903732 |
| Inchi | InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3/t10-/m0/s1 |
| Smiles | CCCCCC[C@@H](C)CC |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients