54081983 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 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 6 6 6 6 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 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 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 3 6 12 21 4 7 13 22 5 23 24 5 25 26 27 28 8 29 30 10 31 32 9 33 34 11 35 36 14 37 38 16 17 39 40 41 42 45 46 47 15 43 44 18 19 48 20 49 50 51 52 53 54 55 56 57 58 59 60 61 62 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 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 1 1 3 6 12 21 1 1 2 4 7 13 22 1 1 11 9 16 17 39 3 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 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 7.1962 10.6603 8.0622 9.7942 8.9282 6.3301 11.5263 5.4641 4.5981 12.3923 3.732 7.1962 10.6603 13.2583 14.1244 2.866 3.732 14.9904 14.1244 2 6.6592 11.1972 8.4607 7.6636 10.1928 9.3957 8.5297 9.3267 6.7287 5.9316 11.9248 11.1278 5.0656 5.8626 4.9966 4.1996 11.9938 12.7908 4.269 6.5762 7.1962 7.8162 13.6569 12.8598 10.0403 10.6603 11.2803 13.5874 3.2646 2.4675 3.112 3.732 4.352 15.3004 15.5273 14.6804 13.5044 14.1244 14.7444 1.69 1.4631 2.31 0.25 0.25 0.75 0.75 0.25 0.75 0.75 0.25 0.75 0.25 0.25 -0.75 -0.75 0.75 0.25 0.75 -0.75 0.75 -0.75 0.25 -0.06 -0.06 1.225 1.225 1.225 1.225 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 1.225 1.225 -0.2249 -0.2249 -0.06 -0.75 -1.37 -0.75 1.225 1.225 -0.75 -1.37 -0.75 -0.06 1.225 1.225 -0.75 -1.37 -0.75 0.2131 1.06 1.2869 -0.75 -1.37 -0.75 0.7869 -0.06 -0.2869 6 5 3 1 2 11 12 13 17 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 194 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0780000000000000000000000000000000000000000000000000000000000000000001800000000000D008000000200000000000000000000000000000000000000000000000000020000000000000000000000010080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6R,10R)-2,6,10,14-tetramethylhexadecane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6R,10R)-2,6,10,14-tetramethylhexadecane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6<I>R</I>,10<I>R</I>)-2,6,10,14-tetramethylhexadecane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6R,10R)-2,6,10,14-tetramethylhexadecane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6R,10R)-2,6,10,14-tetramethylhexadecane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6R,10R)-2,6,10,14-tetramethylhexadecane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3/t18?,19-,20-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GGYKPYDKXLHNTI-FXJNCMGBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 9.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.328651340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H42 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)CCCC(C)CCCC(C)CCCC(C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.328651340 20 3 2 1 0 0 0 0 1 -1