92108 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 2 4 5 8 3 9 10 6 7 11 6 12 13 7 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 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 3.7147 3.2369 3.9735 5.1137 2.342 5.3725 2 3.4559 3.3415 2.3234 3.9595 4.9187 5.7076 1.7636 2.5765 5.9664 5.5674 1.8057 1.4142 2.857 3.2954 4.0548 3.9581 3.4063 2.7248 2.5756 1.757 2.0712 -0.9886 0.96 -0.0226 -1.4974 -1.5806 -0.5315 -0.6409 -1.9545 1.9545 1.3667 -0.6425 -2.086 -1.6752 -1.8039 -2.1546 -0.7092 0.0571 -0.0521 -0.8441 -1.794 -2.5534 -2.115 1.8897 2.5711 2.0193 1.9331 1.6189 0.8003 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371E0700000000000000000000000000000000183000000300000000000000000000000001800000000000F008000000200000000000000000000000000000000000000000000000000020000000000000000000000010080C00F80000000000000008000000000000001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,7,7-trimethylnorbornane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,7,7-trimethylbicyclo[2.2.1]heptane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,7,7-trimethylbicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,7,7-trimethylbicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,7,7-trimethylbicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bornane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BEWYHVAWEKZDPP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.140850574 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H18 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC1(CC2)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC1(CC2)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.140850574 10 0 0 0 0 0 0 0 1 -1