67524 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 31 32 33 34 35 36 37 38 39 40 41 42 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 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 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 2 3 15 16 4 17 18 5 19 20 6 21 22 7 23 24 8 25 26 9 27 28 10 29 30 11 31 32 12 33 34 13 35 36 14 37 38 14 39 40 41 42 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 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 30 31 32 33 34 35 36 37 38 39 40 41 42 5.5 5 5 5.5 4 5 3.5 4 2.5 3.5 2 2.5 2.5 2 5.975 5.975 4.525 4.525 5.5826 4.8923 5.975 5.975 4.1077 3.4174 4.8923 5.5826 3.3923 4.0826 4.1077 3.4174 2.6077 1.9174 3.3923 4.0826 1.525 1.525 1.9174 2.6077 2.975 2.975 1.525 1.525 1.299 0.433 2.1651 -0.433 2.1651 -1.299 1.299 -1.299 1.299 -2.1651 0.433 -2.1651 -0.433 -1.299 0.9005 1.6976 0.8315 0.0345 2.3771 2.7756 -0.8315 -0.0345 2.7756 2.3771 -1.9096 -1.5111 0.6885 1.087 -0.6885 -1.087 1.9096 1.5111 -2.7756 -2.3771 0.8315 0.0345 -2.3771 -2.7756 -0.8315 -0.0345 -0.9005 -1.6976 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53.3 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 00000371E07000000000000000000000000000000000000000000000000000000000000000000018000000000008008000000000000000000000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclotetradecane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KATXJJSCAPBIOB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.219100893 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H28 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCCCCCCC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCCCCCCCCCCCC1 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 2021.10.14 196.219100893 14 0 0 0 0 0 0 0 1 -1