22311 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 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 2 2 2 3 3 3 4 4 4 5 5 6 7 7 8 8 8 9 9 9 10 10 2 3 7 11 4 12 13 6 14 15 5 16 17 6 8 18 9 10 19 20 21 22 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 7 11 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 2.866 2 3.732 2 2.866 3.732 2.866 2.866 3.732 2 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 4.269 2.246 2.866 3.486 4.042 4.269 3.422 2 1.4631 0.75 0.25 0.25 -0.75 -1.25 -0.75 1.75 -2.25 2.25 2.25 1.06 0.8326 0.1423 0.1423 0.8326 -0.6423 -1.3326 -1.06 -2.25 -2.87 -2.25 1.7131 2.56 2.7869 2.87 1.94 3 1 7 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 163 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E0700000000000000000000000000000000000000000200000000000000000000000001800000000000D008000000200000000008002204200000000002000000008000000080000020001000000000080000800030080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 4-isopropenyl-1-methyl-cyclohexene IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1-methyl-4-(1-methylethenyl)cyclohexene IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1-methyl-4-prop-1-en-2-ylcyclohexene IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1-methyl-4-prop-1-en-2-yl-cyclohexene IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 4-isopropenyl-1-methyl-cyclohexene InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 XMGQYMWWDOXHJM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.125201 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C10H16 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.23404 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=CCC(CC1)C(=C)C SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=CCC(CC1)C(=C)C Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.125201 10 1 0 1 0 0 0 0 1 1