10954687 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 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 2 3 4 16 6 7 11 5 10 17 8 13 14 6 9 18 19 20 8 21 22 23 24 12 25 26 12 15 27 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 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 16 1 1 2 1 7 6 11 2 1 3 1 10 5 17 2 1 5 3 9 6 18 2 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 4.3923 5.2013 3.5833 4.7019 3.8923 4.8923 6.004 5.696 3.0865 2.5892 6.0103 2.2828 4.7036 3.7514 2 3.7053 3.3196 4.1539 5.4987 4.8275 6.57 6.3151 5.6314 6.3024 3.5005 2.671 6.3747 6.5119 5.6459 1.9727 1.7163 4.0836 4.7047 5.3236 3.5588 3.1621 3.944 1.3835 2.2512 -0.0882 0.4996 0.4996 -1.0328 1.4506 1.4506 -0.0868 -1.032 2.0328 0.5021 1.0874 1.4478 -2.0328 -1.3435 -0.3058 -0.5887 -0.3085 2.2594 1.5795 2.0672 -0.3398 0.4495 -1.6486 -1.1611 2.4944 2.493 0.5858 1.4518 1.5889 1.9847 1.1958 -2.0339 -2.6528 -2.0318 -0.7542 -1.5361 -1.9328 -0.24 -0.8727 5 5 6 6 1 2 3 5 16 11 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 312 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 00000371E0700000000000000000000000000000000183060000000000000000183000000000001800000000000F008000000200000000008002004200000000002000000000000000080000020001000000000080000000010080C00F80000000000000000000000000000001000008000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (3<I>a</I><I>S</I>,3<I>b</I><I>S</I>,6<I>a</I><I>S</I>,7<I>a</I><I>S</I>)-4,4,6<I>a</I>-trimethyl-3-methylidene-1,2,3<I>a</I>,3<I>b</I>,5,6,7,7<I>a</I>-octahydrocyclopenta[a]pentalene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylidene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylidene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3aS,3bS,6aS,7aS)-4,4,6a-trimethyl-3-methylene-1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H24/c1-10-5-6-11-9-15(4)8-7-14(2,3)13(15)12(10)11/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YZTNUNFLAAHBMK-ABHRYQDASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.9 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 CC1(CCC2(C1C3C(C2)CCC3=C)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@@]12CCC([C@@H]1[C@@H]3[C@H](C2)CCC3=C)(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 4 4 0 0 0 0 0 1 -1