14525 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 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 2 2 2 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 9 9 9 10 10 10 11 11 11 8 5 6 8 9 4 5 7 12 8 10 11 13 14 7 15 16 17 18 19 20 21 22 23 24 25 26 27 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 1 1 2 5 6 8 9 3 1 3 4 5 7 12 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 2.901 4.6964 4.9552 2.9816 4.2186 6.0953 6.3541 3.3236 4.4375 2 2.4968 4.9411 4.5364 3.6054 5.9004 6.6893 6.9481 6.549 3.8387 4.2771 5.0364 1.8817 1.3914 2.1183 3.0391 2.1962 1.9546 -1.7234 -0.2251 0.7408 0.1226 1.7234 -0.7339 0.232 -0.8171 -1.191 -0.0682 0.9972 0.121 2.2558 1.8154 -1.3225 -0.9117 0.0542 0.8206 -1.0306 -1.7899 -1.3515 0.5404 -0.1865 -0.6769 1.2978 1.5394 0.6966 3 3 2 3 9 7 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 217 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 00000371E0702000000000000000000000000000000183000000300000000000000000000000001A00000000000F048080000200000000000800801000000000000000000000010000000000120000000000000000000000010888C08F80000000000000008000040000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethylnorbornan-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethyl-2-bicyclo[2.2.1]heptanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,3-trimethylnorbornan-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LHXDLQBQYFFVNW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 152.120115130 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H16O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 152.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC(C2)(C1=O)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC(C2)(C1=O)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 152.120115130 11 2 0 2 0 0 0 0 1 -1