6918391 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 6 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 2 2 2 3 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 2 5 7 9 4 8 16 4 6 10 17 18 19 6 20 21 22 23 24 25 26 11 13 14 27 12 15 28 29 30 31 32 33 34 35 36 37 38 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 5 9 2 1 2 1 4 8 16 1 1 3 4 6 10 17 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 4.5981 3.732 4.5981 3.732 5.4641 5.4641 4.0981 2.866 5.0981 4.5981 2 5.4641 2.866 6.0981 3.732 3.732 5.135 3.1215 3.52 6.0747 5.6762 5.6762 6.0747 4.635 3.7881 3.5611 4.7881 1.69 1.4631 2.31 5.1541 6.001 5.7741 3.403 2.3291 6.4081 6.4081 3.1951 3.732 1.25 0.75 -0.75 -0.25 0.75 -0.25 2.116 1.25 2.116 -1.75 0.75 -2.25 2.25 2.116 -2.25 1.37 -1.06 -0.1423 -0.8326 0.6423 1.3326 -0.8326 -0.1423 2.426 2.653 1.806 2.653 1.2869 0.44 0.2131 -2.7869 -2.56 -1.7131 2.56 2.56 1.5791 2.653 -1.94 -2.87 5 5 5 1 2 3 7 8 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 284 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0700000000000000000000000000000000000000000300000000000000000000000001800000000000F008000000200000000008002204200000000002000000800000000080000020001000000000080000000010080C00F80000000000000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>S</I>,2<I>S</I>,4<I>R</I>)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OPFTUNCRGUEPRZ-QLFBSQMISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.187800766 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H24 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(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 2021.10.14 204.187800766 15 3 3 0 0 0 0 0 1 -1