443178 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 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 2 2 2 2 3 3 3 4 4 5 5 5 6 6 7 8 8 9 9 9 10 10 10 11 11 4 25 3 5 8 12 4 13 14 6 15 7 16 17 7 9 18 10 11 19 20 21 22 23 24 26 27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 3 8 5 12 2 1 4 1 6 3 15 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 2.5369 4.269 3.403 3.403 5.135 4.269 5.135 4.269 4.269 5.135 3.403 4.8059 3.1909 2.7924 3.403 5.7456 5.3471 5.672 3.649 4.269 4.889 5.445 5.672 4.825 2 3.403 2.866 -1.25 0.75 0.25 -0.75 0.25 -1.25 -0.75 1.75 -2.25 2.25 2.25 1.06 0.8326 0.1423 -1.37 0.1423 0.8326 -1.06 -2.25 -2.87 -2.25 1.7131 2.56 2.7869 -0.94 2.87 1.94 5 6 2 4 8 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 191 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 00000371E0702000000000000000000000000000000000000000200000000000000000000000001A00000800000D14A080020200000002008002204200000000002000000008000000080014020001000050000480000810038080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>R</I>,5<I>S</I>)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BAVONGHXFVOKBV-VHSXEESVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 152.120115130 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H16O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 152.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CCC(CC1O)C(=C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC[C@@H](C[C@H]1O)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 2021.10.14 152.120115130 11 2 2 0 0 0 0 0 1 1