11276107 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 40 41 42 8 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 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 5 36 3 4 6 7 4 5 17 8 18 9 13 10 14 19 9 20 21 11 12 22 23 24 11 25 26 27 28 15 16 29 30 31 32 33 34 35 37 38 39 40 41 42 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 7 1 1 3 2 4 5 17 1 1 4 2 3 8 18 1 1 5 1 9 3 13 2 1 6 2 10 14 19 1 1 8 4 11 12 22 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 40 41 42 3.8388 4.5981 3.7318 3.732 3.9413 5.4641 5.3356 3.732 4.9305 5.4641 4.5981 2.866 2.9636 6.3301 2.866 2 2.8866 2.882 5.4641 5.8722 5.7009 3.732 4.802 5.5202 6.0747 5.6762 4.9966 4.1996 2.866 2.8335 2.3574 3.0937 6.0201 6.8671 6.6401 4.3411 3.486 2.866 2.246 1.69 1.4631 2.31 -2.552 -0.0846 -0.585 0.4154 -1.5572 0.4154 -0.7518 1.4154 -1.6601 1.4154 1.9154 1.9154 -1.7671 -0.0846 2.9154 1.4154 -0.675 0.4155 -0.2046 -1.0624 -0.2508 2.0354 -2.2666 -1.8517 1.3077 1.998 2.3903 2.3903 1.2954 -1.1609 -1.8972 -2.3733 -0.6215 -0.3946 0.4523 -2.9154 2.9154 3.5354 2.9154 1.9523 1.1054 0.8785 6 5 6 6 5 6 2 3 4 5 6 8 7 17 18 1 14 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 311 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E0702000000000000000000000001800000180000000306000000600000000C00000001A00000800000F4480800002000000020000000000000000000000000000000000000000000200000000400004000000000180C0F00F8000000000000000C00006000020000180000C000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.01,5]decan-4-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>,7<I>S</I>,10<I>R</I>)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.0<SUP>1,5</SUP>]decan-4-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-tricyclo[4.4.0.01,5]decan-4-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.01,5]decan-4-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KONGRWVLXLWGDV-BYGOPZEFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.198365449 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H26O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCC(C2C13C2C(CC3)(C)O)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@@](CC3)(C)O)C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 222.198365449 16 6 6 0 0 0 0 0 1 -1