32241 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 6 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 2 2 2 2 3 3 4 4 5 5 5 6 6 7 8 9 9 10 10 11 12 13 13 13 14 14 14 15 15 15 16 16 16 3 13 14 17 4 15 16 18 7 9 8 10 6 7 12 8 11 19 20 11 21 12 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8.1282 2.866 7.2641 3.732 5.4641 5.4641 6.358 4.5981 7.2641 3.732 6.358 4.5981 8.9962 8.1244 2 2.866 8.6639 2.866 6.3509 4.5981 7.7998 3.1951 6.3509 4.5981 8.6882 9.5343 9.3041 8.7443 8.122 7.5044 2.31 1.4631 1.69 2.246 2.866 3.486 1.0121 -1.0121 0.5087 -0.5121 0.4879 -0.5121 1.0226 -1.0121 -0.5329 0.4879 -1.0467 0.9879 0.5154 2.0121 -0.5121 -2.0121 1.3242 -0.3921 1.6426 -1.6321 -0.845 0.7979 -1.6667 1.6079 -0.0227 0.2075 1.0536 2.0145 2.6321 2.0097 0.0249 -0.2021 -1.049 -2.0121 -2.6321 -2.0121 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 5 6 6 9 10 7 9 8 10 6 7 12 8 11 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 192 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0780000000000000000000000000000000000000000306000000000000000C15000001800000000000D008018003200C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-diisopropylnaphthalene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-di(propan-2-yl)naphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-di(propan-2-yl)naphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-di(propan-2-yl)naphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-di(propan-2-yl)naphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-diisopropylnaphthalene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GWLLTEXUIOFAFE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.156500638 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H20 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.156500638 16 0 0 0 0 0 0 0 1 -1