3073 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 15 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 2 3 4 7 5 6 8 9 12 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 15 16 17 18 19 20 21 22 23 24 25 26 27 28 4.5981 5.4641 3.732 5.0981 6.3301 2.866 4.0981 7.1962 6.3301 2 2.866 5.7932 2.866 4.635 3.7881 3.5611 7.5062 7.7331 6.8862 5.7101 6.3301 6.9501 1.69 1.4631 2.31 3.486 2.866 2.246 0 0.5 -0.5 -0.866 0 -0 0.866 0.5 -1 -0.5 1 -0.31 -0.62 1.176 1.403 0.556 -0.0369 0.81 1.0369 -1 -1.62 -1 0.0369 -0.81 -1.0369 1 1.62 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 140 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0603002000000000000000000000000000000000000000000000000000000000000001A08000020000814A080020200000001100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[isopropoxy(methyl)phosphoryl]oxypropane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[isopropoxy(methyl)phosphoryl]oxypropane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WOAFDHWYKSOANX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.09153140 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H17O3P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)OP(=O)(C)OC(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)OP(=O)(C)OC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.09153140 11 0 0 0 0 0 0 0 1 -1