2758 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 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 2 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 3 4 4 5 6 12 7 8 9 10 11 7 13 14 8 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 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 5 255 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 2.7369 3.9735 3.7147 3.603 2 5.3725 2.342 5.1137 3.4559 3.3441 4.3101 3.9595 1.8057 1.4142 5.9664 5.5674 1.7636 2.5765 4.9187 5.7076 2.857 3.2954 4.0548 3.943 3.1837 2.7453 4.7485 4.7485 3.8717 0.6573 -0.1914 -1.1573 1.1573 -0.8096 -0.7002 -1.7493 -1.6661 -2.1232 2.1232 1.8644 -0.8112 -0.2208 -1.0128 -0.878 -0.1116 -1.9726 -2.3233 -2.2547 -1.8439 -1.9627 -2.7221 -2.2837 2.2837 2.7221 1.9627 1.426 2.3028 2.3028 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 164 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0702000000000000000000000000000000000000000344880000000000000000000001A00000000000D4480800002000000040000000000000000000000000000000000000000000200000002000004000000000180C0F00E8000000000000000C000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WEEGYLXZBRQIMU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.135765193 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H18O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC(O1)(CC2)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC(O1)(CC2)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.135765193 11 0 0 0 0 0 0 0 1 -1