10123 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 12 12 13 13 13 14 14 14 15 15 2 3 6 9 4 8 16 7 17 18 5 19 20 7 12 21 10 22 23 24 25 11 13 26 27 28 11 29 30 31 14 15 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 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 6 9 3 1 2 1 4 8 16 3 1 5 4 7 12 21 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 27 28 29 30 31 32 33 34 35 36 37 38 39 5.4641 5.4641 4.5981 4.5981 3.732 6.358 3.732 6.358 5.4641 7.2641 7.2641 2.866 6.3465 2 2.866 5.4593 4.1996 4.9966 4.9966 4.1996 3.732 5.9534 6.7517 3.1215 3.52 4.8441 5.4641 6.0841 7.4732 7.875 7.7998 6.9664 6.3393 5.7265 1.69 1.4631 2.31 3.403 2.3291 -0.7673 0.2327 -1.2673 0.7327 0.2327 -1.302 -0.7673 0.7674 -1.7673 -0.7881 0.2535 0.7327 1.7673 0.2327 1.7327 0.8527 -1.7422 -1.7422 1.2076 1.2076 0.8527 -1.7718 -1.781 -0.6596 -1.3499 -1.7673 -2.3873 -1.7673 -1.3718 -0.682 0.5656 1.7745 2.3873 1.7601 0.7696 -0.0773 -0.3042 2.0427 2.0427 3 3 3 1 2 5 9 4 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 297 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 00000371E0700000000000000000000000000000000000000000304000000000000000800000001800000000000F008000000200000000008002204200000000002000000008000000080000020001000000000080000800030080C00F80000000000000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,8<I>a</I>-dimethyl-3-prop-1-en-2-yl-2,3,4,4<I>a</I>,7,8-hexahydro-1<I>H</I>-naphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene 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/h6,13-14H,1,5,7-10H2,2-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OZQAPQSEYFAMCY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 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 CC1=CCCC2(C1CC(CC2)C(=C)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CCCC2(C1CC(CC2)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 0 3 0 0 0 0 1 -1