10655819 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 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 14 14 14 15 15 15 2 3 4 9 5 6 16 8 17 18 7 19 20 11 21 22 10 13 10 25 26 11 23 24 27 28 29 30 31 12 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 4 9 1 1 2 1 5 6 16 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 6.358 4.5981 6.358 7.2641 3.732 5.4641 7.2641 3.732 2.866 6.3465 2 2.866 5.4576 4.1996 4.9966 5.9534 6.7517 4.9966 4.1996 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 3.486 2.866 2.246 -0.7673 0.2327 -1.2673 -1.302 0.7327 0.7674 -0.7881 -0.7673 -1.7673 0.2535 0.2327 0.7327 1.7673 0.2327 1.7327 1.0827 -1.7422 -1.7422 -1.7718 -1.781 1.2076 1.2076 -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 1.7327 2.3527 1.7327 5 6 1 2 9 16 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 304 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0700000000000000000000000000000000000000000306000000000000000C00000001800000000000F008000000200000000008002004200000000002000000008000000080000020001000000000080000800030080C00F80000000000000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylene-decalin IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4aS,8aR)-8a-methyl-4-methylene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>a</I><I>S</I>,8<I>a</I><I>R</I>)-8<I>a</I>-methyl-4-methylidene-6-propan-2-ylidene-2,3,4<I>a</I>,5,7,8-hexahydro-1<I>H</I>-naphthalene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylene-decalin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RMZHSBMIZBMVMN-LSDHHAIUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.187800766 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H24 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C1CCC2(CCCC(=C)C2C1)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C1CC[C@]2(CCCC(=C)[C@@H]2C1)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.187800766 15 2 2 0 0 0 0 0 1 -1