4868274 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 6 6 6 6 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 3 3 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 14 2 3 4 5 3 4 5 4 6 6 7 15 8 16 8 9 17 10 18 11 19 20 12 21 22 12 13 23 14 24 25 26 27 28 29 30 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 1 7 5 8 9 17 3 1 8 6 7 10 18 3 1 11 9 12 13 23 3 1 12 10 11 14 24 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 2 2.7071 3.4142 2.7071 3.9713 3.9713 5.2527 5.2527 6.1849 6.1849 6.9918 6.9918 7.88 7.88 3.9642 3.9642 5.3075 5.3075 5.8639 6.6387 6.6387 5.8639 7.0347 7.0347 7.595 8.4306 8.1649 8.1649 8.4306 7.595 0 -0.7071 0 0.7071 -1.4632 1.4632 -0.7365 0.7365 -1.0653 1.0653 -0.4942 0.4942 -0.9538 0.9538 -2.0832 2.0832 -1.3541 1.3541 -1.5957 -1.4877 1.4877 1.5957 -1.1128 1.1128 -1.5044 -1.2387 -0.4031 0.4031 1.2387 1.5044 3 3 3 3 7 8 11 12 9 10 13 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 392 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E070000000000000000000000000183060C0000000003060C1800000000000C00000001800000000000F008000000200000000000000000000000000000000000000000000000000020000000000000000000000010080C00F80000000000000008000040000200001000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.02,4.03,5.03,6.04,6.05,7]dodecane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.02,4.03,5.03,6.04,6.05,7]dodecane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.0<SUP>2,4</SUP>.0<SUP>3,5</SUP>.0<SUP>3,6</SUP>.0<SUP>4,6</SUP>.0<SUP>5,7</SUP>]dodecane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.02,4.03,5.03,6.04,6.05,7]dodecane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.02,4.03,5.03,6.04,6.05,7]dodecane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10,11-dimethylheptacyclo[6.4.0.02,4.03,5.03,6.04,6.05,7]dodecane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H16/c1-5-3-7-8(4-6(5)2)10-13-11-9(7)12(11,13)14(10,11)13/h5-10H,3-4H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VADHSZGWXFVXSY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.125200510 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H16 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2C(CC1C)C3C45C36C47C56C72 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2C(CC1C)C3C45C36C47C56C72 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.125200510 14 4 0 4 0 0 0 0 1 -1