5-Methyl-2-hepten-4-one
PubChem CID: 5362588
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| Compound Synonyms | 5-Methyl-2-hepten-4-one, 81925-81-7, 5-methylhept-2-en-4-one, 102322-83-8, (E)-5-Methyl-2-hepten-4-one, (E)-5-methylhept-2-en-4-one, (+/-)-Filbertone, 5-Methyl-(E)-2-hepten-4-one, (2E)-5-Methyl-2-hepten-4-one, 5-Methyl-2-hepten-4-one [FHFI], FEMA No. 3761, UNII-8K2S58736F, 2-Hepten-4-one, 5-methyl-, (2E)-, (+/-)-5-Methyl-2-hepten-4-one, 2-Hepten-4-one, 5-methyl-, (E)-, 5-Methyl-2-hepten-4-one, (+/-)-, filbertone,5-methyl-(E)-2-hepten-4-one, 5-Methyl-2-hepten-4-one, predominantly trans, 8K2S58736F, Filbertone, (.+/-.)-, DTXSID401017670, filbert heptenone, DTXSID90868631, MFCD00792509, Filbertone, (+/-)-, SCHEMBL310232, SCHEMBL310233, DTXCID40910598, DTXCID50816719, Filbertone 5-Methyl-2-Hepten-4-one, AKOS015841109, CS-W013495, HY-W012779, AC-33764, AS-76135, Q5448299, 5-Methyl-2-hepten-4-one, predominantly trans, 98%, FG, 600-299-3, 617-270-6 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5-methylhept-2-en-4-one |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 2.2 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C8H14O |
| Inchi Key | ARJWAURHQDJJAC-GQCTYLIASA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | FEMA 3761, Filbertone, 5-Methyl-(e)-2-hepten-4-one, 5-Methylhept-2-en-4-one, (e)-5-Methylhept-2-en-4-one |
| Compound Name | 5-Methyl-2-hepten-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ |
| Smiles | CCC(C)C(=O)/C=C/C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Enones |
- 1. Outgoing r'ship
FOUND_INto/from Corylus Avellana (Plant) Rel Props:Source_db:fooddb_chem_all