442393 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 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 15 2 3 5 10 4 8 16 7 17 18 6 19 20 9 21 22 7 12 23 24 25 11 13 11 26 27 28 29 30 31 32 14 15 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 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 3 5 10 1 1 2 1 4 8 16 1 1 6 4 7 12 23 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 5.4641 5.4641 4.5981 4.5981 6.358 3.732 3.732 6.358 7.2641 5.4641 7.2641 2.866 6.3465 2 2.866 5.4576 4.1996 4.9966 4.9966 4.1996 5.9534 6.7517 3.732 3.1215 3.52 7.4732 7.875 4.8441 5.4641 6.0841 7.875 7.4732 6.8798 5.806 1.69 1.4631 2.31 3.403 2.3291 -0.7673 0.2327 -1.2673 0.7327 -1.302 0.2327 -0.7673 0.7674 -0.7881 -1.7673 0.2535 0.7327 1.7673 0.2327 1.7327 1.0827 -1.7422 -1.7422 1.2076 1.2076 -1.7718 -1.781 0.8527 -0.6596 -1.3499 -1.3718 -0.682 -1.7673 -2.3873 -1.7673 0.1474 0.8372 2.0835 2.0711 0.7696 -0.0773 -0.3042 2.0427 2.0427 5 6 5 1 2 6 10 16 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 286 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 00000371E0700000000000000000000000000000000000000000306000000000000000C00000001800000000000F008000000200000000008002004200000000002000000000000000080000020001000000000080000000010080C00F80000000000000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4aS,8aR)-8a-methyl-5-methylene-3-(1-methylethenyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3<I>R</I>,4<I>a</I><I>S</I>,8<I>a</I><I>R</I>)-8<I>a</I>-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4<I>a</I>,6,7,8-octahydronaphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YOVSPTNQHMDJAG-QLFBSQMISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 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)C1CCC2(CCCC(=C)C2C1)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2C1)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