10050 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 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 9 9 9 10 10 10 11 11 11 8 3 4 9 10 5 8 11 6 7 12 6 13 14 15 16 8 17 18 19 20 21 22 23 24 25 26 27 2 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 2 8 5 11 2 1 4 2 6 7 12 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 5.6137 3.2369 3.7147 3.9735 2.342 2 5.3725 5.1137 3.3415 2.3234 3.4559 3.9595 1.7636 2.5765 1.8057 1.4142 5.9664 5.5674 3.9581 3.4063 2.7248 2.5756 1.757 2.0712 2.857 3.2954 4.0548 -2.159 1.1644 -0.7841 0.1818 -1.3761 -0.4364 -0.327 -1.2929 2.159 1.5712 -1.75 -0.438 -1.5994 -1.9501 0.1523 -0.6396 -0.5048 0.2616 2.0942 2.7756 2.2238 2.1376 1.8233 1.0048 -1.5896 -2.3489 -1.9105 6 3 3 4 11 6 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 217 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0702000000000000000000000000000000183000000300000000000000000000000001A00000000000F048080000200000000000800801000000000000000000000010000000000120000000000000000000000010888C08F80000000000000008000000000000001000008000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S)-1,7,7-trimethylnorbornan-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>S</I>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S)-1,7,7-trimethylnorbornan-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DSSYKIVIOFKYAU-OMNKOJBGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 152.120115130 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H16O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 152.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(C2CCC1(C(=O)C2)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@]12CCC(C1(C)C)CC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 17.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 152.120115130 11 2 1 1 0 0 0 0 1 -1