365701 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 8 8 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 2 3 3 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 10 10 11 12 12 12 13 13 14 14 15 16 16 16 6 27 8 4 5 6 7 5 17 18 19 20 8 10 9 12 11 11 13 21 22 23 14 24 25 26 15 28 15 29 16 30 31 32 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 6 1 8 3 10 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 5.5981 5.4641 3.732 4.232 3.232 4.5981 2.866 4.5981 2.866 5.0981 3.732 2 2.129 3.5228 2.5341 2.0341 4.3397 4.8147 2.6494 3.1244 4.5611 5.4081 5.635 1.69 1.4631 2.31 5.9081 1.5223 3.9369 2.5711 1.7241 1.4972 -1.0374 0.4626 -1.5374 -2.4035 -2.4035 -1.0374 -1.0374 -0.0374 -0.0374 -1.9035 0.4626 -1.5374 0.6296 1.4344 1.5374 2.4035 -3.014 -2.1914 -2.1914 -3.014 -2.2135 -2.4404 -1.5935 -1.0005 -1.8474 -2.0744 -1.5744 0.5018 1.8958 2.7135 2.9404 2.0935 6 6 1 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 501 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0703000000000000000000000001800000100000000200000000000000040000000001A00000800000E448080000200000002008802A052000200000020000000080140004808001200010000400004C0000881838880C00F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5'R)-5'-hydroxy-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-spiro[cyclopropane-1,6'-indene]one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5&apos;<I>R</I>)-5&apos;-hydroxy-2&apos;,5&apos;,7&apos;-trimethylspiro[cyclopropane-1,6&apos;-indene]-4&apos;-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5'R)-5'-hydroxy-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5'R)-2',5',7'-trimethyl-5'-oxidanyl-spiro[cyclopropane-1,6'-indene]-4'-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5'R)-5'-hydroxy-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HLAKJNQXUARACO-ZDUSSCGKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.115029749 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H16O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 216.115029749 16 1 1 0 0 0 0 0 1 -1