520384 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 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 4 4 5 5 5 6 6 7 8 8 8 9 9 9 10 10 10 2 3 5 6 3 4 11 12 13 7 8 14 9 10 15 7 16 17 18 19 20 21 22 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 6 3 1 2 1 3 4 11 3 1 4 2 7 8 14 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 3.5388 3.5388 4.4054 2.5878 3.5388 2.5878 2 2.2788 4.4049 2.6728 3.791 4.8039 4.8039 1.9754 3.5388 2.3962 1.38 1.6891 2.0872 2.8684 4.7149 4.9418 4.0949 2.9828 2.1359 2.3628 0.38 -0.62 -0.12 -0.929 1.38 0.6891 -0.12 -1.88 1.88 1.88 -1.1864 -0.5949 0.355 -1.026 2 1.2787 -0.12 -1.6884 -2.4697 -2.0716 1.3431 2.19 2.417 2.417 2.19 1.3431 3 3 3 1 2 4 2 3 8 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 179 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0700000000000000000000000001800000100000000200000000000000000000000001800000000000F008000000200000000008000204200000000002000000808000000080000020001000000000080000800030080400F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-isopropyl-4-methyl-bicyclo[3.1.0]hex-2-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-2-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-isopropyl-4-methyl-bicyclo[3.1.0]hex-2-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GJYKUZUTZNTBEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 136.125200510 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H16 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 136.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C=CC2(C1C2)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C=CC2(C1C2)C(C)C 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 2021.10.14 136.125200510 10 3 0 3 0 0 0 0 1 -1