58243354 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 39 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10 -1 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 26 11 5 6 12 13 7 14 15 8 16 17 9 18 19 10 20 21 11 22 23 24 25 6 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 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 10.3312 2.5369 3.403 6.8671 6.001 7.7331 5.135 8.5991 4.269 9.4651 3.403 6.4685 7.2656 6.3996 5.6025 8.1316 7.3346 4.7365 5.5335 8.2006 8.9976 4.6675 3.8705 9.7751 9.1551 2 0.9815 0.4815 -1.0185 -0.0185 0.4815 0.4815 -0.0185 -0.0185 0.4815 0.4815 -0.0185 -0.4934 -0.4934 0.9565 0.9565 0.9565 0.9565 -0.4934 -0.4934 -0.4934 -0.4934 0.9565 0.9565 -0.0554 1.0185 0.1715 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 94.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000000000000200000000000000000000000000000000000000000000000000001A0000080000080080800000080000020008000090080000000000000000000100000000001200000000400004000000000188C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 octanoic acid;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 octanoic acid;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 octanoic acid;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 octanoic acid;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 octanoic acid;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 caprylic acid;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H15O2.Y/c1-2-3-4-5-6-7-8(9)10;/h1-7H2,(H,9,10);/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LCHWWENDCVUEHN-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.013043 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H15O2Y- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [CH2-]CCCCCCC(=O)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [CH2-]CCCCCCC(=O)O.[Y] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.013043 11 0 0 0 0 0 0 0 2 -1