69562060 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 35 14 8 8 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 2 2 1 2 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 15 16 16 17 18 18 18 14 5 9 10 6 11 15 18 6 7 8 19 20 21 22 23 24 25 26 27 28 29 30 31 32 12 33 34 13 14 15 35 16 17 17 36 37 38 39 40 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 1 1 1 2 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 37 38 39 40 2 6.3301 4.5981 5.4641 5.4641 4.5981 4.9641 5.9641 6.3301 7.1962 3.732 3.732 4.5981 2.866 4.5981 2.866 3.732 5.4641 4.386 3.9875 5.501 4.6541 4.4272 5.4272 6.2741 6.501 6.9501 6.3301 5.7101 6.8862 7.7331 7.5062 3.52 3.1215 5.135 2.3291 3.732 4.8441 5.4641 6.0841 -0.75 2.75 0.75 -2.75 2.25 1.75 3.116 1.384 3.75 2.25 0.25 -0.75 -1.25 -1.25 -2.25 -2.25 -2.75 -3.75 2.3326 1.6423 3.426 3.653 2.806 1.074 0.847 1.694 3.75 4.37 3.75 1.7131 1.94 2.7869 0.8326 0.1423 -0.94 -2.56 -3.37 -3.75 -4.37 -3.75 8 8 8 8 8 8 12 12 13 14 15 16 13 14 15 16 17 17 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 246 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703008001000000000000000000000000000000000300000000000000000010000001A1040000001AC04A0B8027206800004018002204200000208002020040888000608A80C262284311A82302024C01108AA17C0C0300E00100100000080000020020000010000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H22BrO2Si/c1-14(2,18(4)5)10-17-9-11-8-12(16-3)6-7-13(11)15/h6-8H,9-10H2,1-5H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UIADQLAANSGOPT-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.05724 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H22BrO2Si Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(COCC1=C(C=CC(=C1)OC)Br)[Si](C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(COCC1=C(C=CC(=C1)OC)Br)[Si](C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 18.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.05724 18 0 0 0 0 0 0 0 1 -1