| Formula | C11H20O |
| MW | 168.28 |
| InChIKey | SWBGUNASIKSCCO-UHFFFAOYSA-N |
| pubchem_compound_cid | 24980 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 147 |
| pubchem_cactvs_hbond_acceptor | 1 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACIAKBSAAAAAAAgAAAICAAAAEgAAAIAAQAAAAAAgAAIAYMAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-ethylnon-3-en-2-one |
| pubchem_iupac_cas_name | 5-ethyl-3-nonen-2-one |
| pubchem_iupac_systematic_name | 5-ethylnon-3-en-2-one |
| pubchem_iupac_traditional_name | 5-ethylnon-3-en-2-one |
| pubchem_iupac_inchi | InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3 |
| pubchem_iupac_inchikey | SWBGUNASIKSCCO-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 3.7 |
| pubchem_exact_mass | 168.151415 |
| pubchem_molecular_formula | C11H20O |
| pubchem_molecular_weight | 168.2759 |
| pubchem_openeye_can_smiles | CCCCC(CC)C=CC(=O)C |
| pubchem_openeye_iso_smiles | CCCCC(CC)C=CC(=O)C |
| pubchem_cactvs_tpsa | 17.1 |
| pubchem_monoisotopic_weight | 168.151415 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 12 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 1 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 5 |
| pubchem_coordinate_type | 1 |
| pubchem_bondannotations | 7 10 1 |
| pubchem_xlogp3 | 0 |
