61021 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 8 8 8 8 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 3 3 4 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 5 6 5 7 6 8 7 8 9 13 10 14 11 15 12 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 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 5.3381 3.631 4.631 2.9239 4.631 5.3381 2.9239 3.631 5.0137 6.262 2 3.2483 4.2865 5.8536 2.4084 3.0229 5.5865 5.2509 4.4409 6.0247 6.8348 6.4992 2.2373 1.4272 1.7627 2.6755 3.011 3.8211 0.5 1.2071 -1.2071 -0.5 1.2071 -0.5 0.5 -1.2071 2.131 -0.8827 0.8827 -2.131 1.7226 -0.1555 0.1555 -1.3281 1.8937 2.7038 2.3683 -1.4555 -1.12 -0.3099 1.4555 1.12 0.3099 -1.8937 -2.7038 -2.3683 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703800000000000000000000000000000000000000000000000000120000000000001A00000000000000B080030208000004000000000000000000000000000000000000001000000000002200000000000400000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GKKDCARASOJPNG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.10485899 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H16O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1OC(OC(OC(O1)C)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1OC(OC(OC(O1)C)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 36.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.10485899 12 0 0 0 0 0 0 0 1 -1