14502 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 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 3 3 3 4 4 4 5 5 5 6 7 7 2 3 8 9 4 10 11 5 12 13 6 14 15 6 16 17 7 18 19 1 1 1 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 17 18 19 2.866 3.732 2 3.732 2 2.866 2.866 2.4675 3.2646 3.9441 4.3426 1.3894 1.788 4.3426 3.9441 1.788 1.3894 3.403 2.3291 -1.5 -1 -1 -0 0 0.5 1.5 -1.975 -1.975 -1.5826 -0.8923 -0.8923 -1.5826 -0.1077 0.5826 0.5826 -0.1077 1.81 1.81 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.1 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 00000371C0600000000000000000000000000000000000000000300000000000000000000000001800000000000C008000000000000000008002004200000000002000000000000000080000020001000000000080000000010000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylenecyclohexane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylenecyclohexane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylidenecyclohexane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylidenecyclohexane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylidenecyclohexane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylenecyclohexane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YULMNMJFAZWLLN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.093900383 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H12 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C1CCCCC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C1CCCCC1 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 96.093900383 7 0 0 0 0 0 0 0 1 -1