| Formula | C12H20O4 |
| MW | 228.29 |
| InChIKey | ZTUZDYWYNQDJKR-UHFFFAOYSA-N |
| pubchem_compound_cid | 24990 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 223 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAHLyKCOgAAAAAAAAAAAAAAAACAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | diethyl cyclohexane-1,2-dicarboxylate |
| pubchem_iupac_cas_name | cyclohexane-1,2-dicarboxylic acid diethyl ester |
| pubchem_iupac_systematic_name | diethyl cyclohexane-1,2-dicarboxylate |
| pubchem_iupac_traditional_name | cyclohexane-1,2-dicarboxylic acid diethyl ester |
| pubchem_iupac_inchi | InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3 |
| pubchem_iupac_inchikey | ZTUZDYWYNQDJKR-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 2.2 |
| pubchem_exact_mass | 228.136159 |
| pubchem_molecular_formula | C12H20O4 |
| pubchem_molecular_weight | 228.2848 |
| pubchem_openeye_can_smiles | CCOC(=O)C1CCCCC1C(=O)OCC |
| pubchem_openeye_iso_smiles | CCOC(=O)C1CCCCC1C(=O)OCC |
| pubchem_cactvs_tpsa | 52.6 |
| pubchem_monoisotopic_weight | 228.136159 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 16 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_bondannotations | 5 11 3
6 12 3 |
| pubchem_xlogp3 | 0 |
