Nonyl 2-methylpropanoate
PubChem CID: 517863
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| Compound Synonyms | Nonyl 2-methylpropanoate, Propanoic acid, 2-methyl-, nonyl ester, 10522-34-6, DTXSID90333738, Nonylisobutyrat, Nonyl 2-methylpropanoate #, SCHEMBL2354508, DTXCID00284828 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonyl 2-methylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C13H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXMUYNHMPAZLEB-UHFFFAOYSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -5.001 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.944 |
| Compound Name | Nonyl 2-methylpropanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6589637999999995 |
| Inchi | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCCCCCOC(=O)C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients