(Oxiran-2-yl)methyl decanoate
PubChem CID: 14833269
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| Compound Synonyms | 26411-50-7, (Oxiran-2-yl)methyl decanoate, Glycidyl Caprate, OXIRAN-2-YLMETHYL DECANOATE, Decanoic acid, 2-oxiranylmethyl ester, DTXSID50564506, Decanoic Acid 2-Oxiranylmethyl Ester, Decanoic Acid 2,3-Epoxypropyl Ester, 2,3-Epoxy-1-propanol Decanoate, Glycidyl Decanoate, , starbld0001135, SCHEMBL547743, DTXCID20515282, FZBIESPTFIVNEJ-UHFFFAOYSA-N, AKOS030255454, HY-W587908, Decanoic acid (oxiran-2-yl)methyl ester, DB-230499, G86885 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oxiran-2-ylmethyl decanoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C13H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZBIESPTFIVNEJ-UHFFFAOYSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -3.837 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.536 |
| Compound Name | (Oxiran-2-yl)methyl decanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0181584 |
| Inchi | InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-13(14)16-11-12-10-15-12/h12H,2-11H2,1H3 |
| Smiles | CCCCCCCCCC(=O)OCC1CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients