102446 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 6 6 3 1 1 1 1 1 1 1 1 1 1 -1 5 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 5 6 4 7 8 9 10 11 12 13 14 1 1 7 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.866 3.732 2.366 4.5981 2 3.176 4.1306 3.3335 2.903 2.056 1.8291 4.2881 5.135 4.9081 -0.1645 0.3355 0.7015 -0.1645 -0.6645 -0.7015 0.8104 0.8104 1.0115 1.2384 0.3915 -0.7015 -0.4745 0.3724 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C86000000000000000000000000000000000000000000000000000000000000000000018000000000008008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lithium;butane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WGOPGODQLGJZGL-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 64.08642872 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H9Li Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 64.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Li+].CC[CH-]C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Li+].CC[CH-]C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 64.08642872 5 0 0 0 0 0 0 0 2 -1