(2Z)-2,4-dimethyl-2-pentenal
PubChem CID: 10887860
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| Compound Synonyms | (2Z)-2,4-dimethyl-2-pentenal, (Z)-2,4-dimethyl-pent-2-enal |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2,4-dimethylpent-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXMYOGGQDRXLAN-DAXSKMNVSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.106 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.313 |
| Compound Name | (2Z)-2,4-dimethyl-2-pentenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4618664 |
| Inchi | InChI=1S/C7H12O/c1-6(2)4-7(3)5-8/h4-6H,1-3H3/b7-4- |
| Smiles | CC(C)/C=C(/C)\C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients