8079 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 6 6 6 6 6 6 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 6 2 3 7 8 4 9 10 5 11 12 6 13 14 6 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.866 2 3.732 2 3.732 2.866 3.2646 2.4675 1.788 1.3894 4.3426 3.9441 1.3894 1.788 4.269 2.866 1 0.5 0.5 -0.5 -0.5 -1 1.475 1.475 1.0826 0.3923 0.3923 1.0826 -0.3923 -1.0826 -0.81 -1.62 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 45.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C06000000000000000000000000000000000000000002000000000000000000000000018000000000008008000000000000000008000204200000000002000000808000000080000020001000000000080000800030000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 cyclohexene IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 cyclohexene IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 cyclohexene IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 cyclohexene IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 cyclohexene InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 HGCIXCUEYOPUTN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 82.07825 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H10 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 82.1436 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCC=CC1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCC=CC1 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 82.07825 6 0 0 0 0 0 0 0 1 1