33023 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 29 30 31 32 33 34 35 36 8 8 8 8 6 6 6 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 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 5 7 6 8 10 14 11 33 6 9 15 16 17 11 12 18 10 13 19 20 21 22 23 24 25 26 27 28 29 30 31 32 34 35 36 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 1 1 1 1 1 1 1 1 1 1 5 1 6 9 15 3 1 7 1 11 12 18 3 1 8 2 10 13 19 3 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 29 30 31 32 33 34 35 36 8.0622 5.4641 2.866 10.6603 7.1962 6.3301 8.9282 4.5981 7.1962 3.732 9.7942 8.9282 4.5981 2 7.7331 6.7287 5.9316 8.9282 4.5981 6.5762 7.1962 7.8162 3.3335 4.1306 10.1928 9.3957 8.3082 8.9282 9.5482 5.2181 4.5981 3.9781 11.1972 1.69 1.4631 2.31 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 -1.25 -0.25 0.25 -1.25 1.25 -0.25 -0.56 0.7249 0.7249 0.37 -0.37 -1.25 -1.87 -1.25 -0.7249 -0.7249 0.7249 0.7249 -1.25 -1.87 -1.25 1.25 1.87 1.25 0.06 0.2869 -0.56 -0.7869 3 3 3 5 7 8 9 12 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 129 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703800000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020200000006000000000000000000000000000000000000000110000000000240000000000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-methoxy-1-methyl-ethoxy)-1-methyl-ethoxy]propan-1-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-1-propanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-1-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-1-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-1-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-methoxy-1-methyl-ethoxy)-1-methyl-ethoxy]propan-1-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H22O4/c1-8(5-11)14-10(3)7-13-9(2)6-12-4/h8-11H,5-7H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GVZNXUAPPLHUOM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.15180918 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H22O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CO)OC(C)COC(C)COC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CO)OC(C)COC(C)COC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.15180918 14 3 0 3 0 0 0 0 1 -1