6552009 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 8 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 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 5 29 3 5 6 9 4 10 11 7 8 12 7 13 8 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 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 6 5 9 2 1 4 3 7 8 12 1 1 5 1 7 2 13 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 5.4686 3.6732 4.151 3.4144 5.046 2.2743 5.388 2.0155 3.9321 4.0465 5.0646 3.1944 4.614 2.4692 1.6803 5.5823 5.9737 1.4215 1.8206 4.5309 4.0925 3.3332 3.4299 3.9817 4.6631 4.8124 5.631 5.3168 6.0862 -2.1937 -0.6953 1.2532 0.2706 -1.2874 -1.2042 -0.3477 -0.2382 -1.6613 2.2477 1.6599 1.0916 -1.7321 -1.7927 -1.3819 0.2411 -0.5509 -0.416 0.3503 -1.5008 -2.2602 -1.8217 2.1829 2.8643 2.3125 2.2263 1.9121 1.0935 -2.2477 5 6 6 2 4 5 9 12 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 185 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0702000000000000000000000000000000183000000300000000000000000000000001A00000800000F14A0800202000000020000000000000000000000000000000000000000100200000000400004000000000180C0F00F8000000000000000800002000010000180000C000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2S,4R)-1,7,7-trimethylnorbornan-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>R</I>,2<I>S</I>,4<I>R</I>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2S,4R)-1,7,7-trimethylnorbornan-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DTGKSKDOIYIVQL-WEDXCCLWSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.135765193 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H18O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 154.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2CCC1(C(C2)O)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O 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 2021.10.14 154.135765193 11 3 3 0 0 0 0 0 1 -1