MolDB6 demo: details for selected entry

cyclopentyloxycyclopentane (23181)
hit structure

FormulaC10H18O
MW154.25
InChIKeyBOTLEXFFFSMRLQ-UHFFFAOYSA-N
pubchem_compound_cid24977
pubchem_compound_canonicalized1
pubchem_cactvs_complexity96
pubchem_cactvs_hbond_acceptor1
pubchem_cactvs_hbond_donor0
pubchem_cactvs_rotatable_bond2
pubchem_cactvs_subskeysAAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
pubchem_iupac_openeye_namecyclopentoxycyclopentane
pubchem_iupac_cas_namecyclopentyloxycyclopentane
pubchem_iupac_systematic_namecyclopentyloxycyclopentane
pubchem_iupac_traditional_namecyclopentoxycyclopentane
pubchem_iupac_inchiInChI=1S/C10H18O/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2
pubchem_iupac_inchikeyBOTLEXFFFSMRLQ-UHFFFAOYSA-N
pubchem_xlogp3_aa2.6
pubchem_exact_mass154.135765
pubchem_molecular_formulaC10H18O
pubchem_molecular_weight154.24932
pubchem_openeye_can_smilesC1CCC(C1)OC2CCCC2
pubchem_openeye_iso_smilesC1CCC(C1)OC2CCCC2
pubchem_cactvs_tpsa9.2
pubchem_monoisotopic_weight154.135765
pubchem_total_charge0
pubchem_heavy_atom_count11
pubchem_atom_def_stereo_count0
pubchem_atom_udef_stereo_count0
pubchem_bond_def_stereo_count0
pubchem_bond_udef_stereo_count0
pubchem_isotopic_atom_count0
pubchem_component_count1
pubchem_cactvs_tauto_count1
pubchem_coordinate_type1
pubchem_xlogp30