| Formula | C14H30O2 |
| MW | 230.39 |
| InChIKey | VKKFWRYCMZBXIG-UHFFFAOYSA-N |
| pubchem_compound_cid | 24982 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 155 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACAAAEAAADAAGAwNAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-(1-isobutyl-3,5-dimethyl-hexoxy)ethanol |
| pubchem_iupac_cas_name | 2-(2,6,8-trimethylnonan-4-yloxy)ethanol |
| pubchem_iupac_systematic_name | 2-(2,6,8-trimethylnonan-4-yloxy)ethanol |
| pubchem_iupac_traditional_name | 2-(1-isobutyl-3,5-dimethyl-hexoxy)ethanol |
| pubchem_iupac_inchi | InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3 |
| pubchem_iupac_inchikey | VKKFWRYCMZBXIG-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 4.2 |
| pubchem_exact_mass | 230.22458 |
| pubchem_molecular_formula | C14H30O2 |
| pubchem_molecular_weight | 230.3868 |
| pubchem_openeye_can_smiles | CC(C)CC(C)CC(CC(C)C)OCCO |
| pubchem_openeye_iso_smiles | CC(C)CC(C)CC(CC(C)C)OCCO |
| pubchem_cactvs_tpsa | 29.5 |
| pubchem_monoisotopic_weight | 230.22458 |
| 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 | 3 17 3
5 20 3 |
| pubchem_xlogp3 | 0 |
