| Formula | C9H20O2 |
| MW | 160.26 |
| InChIKey | BITOXCKNAKLGLN-UHFFFAOYSA-N |
| pubchem_compound_cid | 24989 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 74 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 7 |
| pubchem_cactvs_subskeys | AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACAAAEAAADAAGAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-(1-ethylpentoxy)ethanol |
| pubchem_iupac_cas_name | 2-heptan-3-yloxyethanol |
| pubchem_iupac_systematic_name | 2-heptan-3-yloxyethanol |
| pubchem_iupac_traditional_name | 2-(1-ethylpentoxy)ethanol |
| pubchem_iupac_inchi | InChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3 |
| pubchem_iupac_inchikey | BITOXCKNAKLGLN-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 2.1 |
| pubchem_exact_mass | 160.14633 |
| pubchem_molecular_formula | C9H20O2 |
| pubchem_molecular_weight | 160.2539 |
| pubchem_openeye_can_smiles | CCCCC(CC)OCCO |
| pubchem_openeye_iso_smiles | CCCCC(CC)OCCO |
| pubchem_cactvs_tpsa | 29.5 |
| pubchem_monoisotopic_weight | 160.14633 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| 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 | 3 6 3 |
| pubchem_xlogp3 | 0 |
