2-Methylbutyl propionate
PubChem CID: 102817
Connections displayed (default: 10).
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| Compound Synonyms | 2-Methylbutyl propionate, 2-methylbutyl propanoate, 2438-20-2, 1-Butanol, 2-methyl-, propanoate, 1-Butanol, 2-methyl-, propionate, 1-Butanol, 2-methyl-, 1-propanoate, 2-Methylbutylpropionate, EINECS 219-449-0, DTXSID40862942, SCHEMBL2854978, DTXCID70811640, DB-003299, NS00047647, Q67879584, 219-449-0 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylbutyl propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C8H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVJLYXCJBPXRCY-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -2.238 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.539 |
| Compound Name | 2-Methylbutyl propionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8342267999999997 |
| Inchi | InChI=1S/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3 |
| Smiles | CCC(C)COC(=O)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Humulus Scandens (Plant) Rel Props:Reference: