5364364 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6 6 6 6 6 6 6 6 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 4 5 5 6 7 7 8 3 5 9 10 4 6 11 12 7 13 14 8 15 16 6 17 18 8 19 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 5 1 17 6 2 18 1 1 7 3 19 8 20 4 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 4.0806 2.8735 4.9466 3.7395 3.1147 2.6147 5.2055 4.7055 4.519 3.7706 2.2535 2.713 5.5666 5.1071 3.3011 4.0495 2.7373 2 5.8202 5.0829 1.2954 -0.7954 0.7954 -1.2954 1.0366 0.1705 -0.1705 -1.0366 1.7338 1.8323 -0.7954 -1.3943 0.7954 1.3943 -1.7338 -1.8323 1.5284 0.2515 -0.2515 -1.5284 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07000000000000000000000000000000000000000000000000000001000000000000018000000000008008000000000000000008000204200000000002000000808000000080000000001000000000080000800020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z,5E)-cycloocta-1,5-diene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z,5E)-cycloocta-1,5-diene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>Z</I>,5<I>E</I>)-cycloocta-1,5-diene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z,5E)-cycloocta-1,5-diene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z,5E)-cycloocta-1,5-diene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z,5E)-cycloocta-1,5-diene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VYXHVRARDIDEHS-CDTWYVJESA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 108.093900383 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H12 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 108.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC=CCCC=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C\1C/C=C\CC/C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 108.093900383 8 0 0 0 2 2 0 0 1 -1