2-Methylpent-2-enal
PubChem CID: 12177
Connections displayed (default: 10).
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| Compound Synonyms | 2-Methylpent-2-enal, 2-methyl-pent-2-enal, 2-Methyl-2-penten-1-al, 2-Methyl-2-pentene-1-al, DTXSID3052301, 2-methyl 2-pentenal, AKOS025243213, SY113807, DB-054134, NS00001026, D91397 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.2 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpent-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C6H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDEYZABHVQLHAF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.53 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.475 |
| Compound Name | 2-Methylpent-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.1669989999999997 |
| Inchi | InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3 |
| Smiles | CCC=C(C)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all