Ethyl 2-methylbut-2-enoate
PubChem CID: 108343
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| Compound Synonyms | 55514-48-2, Ethyl 2-methylbut-2-enoate, Ethyl 2-methyl-2-butenoate, EINECS 259-688-8, DTXSID3047689, 2-Butenoic acid, 2-methyl-, ethyl ester, MFCD00015183, (E)-ethyl tiglate, ethyl-2-methyl-2-butenoate, DTXCID1027689, ethyl alpha,beta-dimethylacrylate, SY049480, DB-264932, NS00088395, 259-688-8 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAPHLAAOJMTMLY-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.378 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.076 |
| Compound Name | Ethyl 2-methylbut-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.169 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4950601999999997 |
| Inchi | InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3 |
| Smiles | CCOC(=O)C(=CC)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients