7296 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6 6 6 6 6 6 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 6 6 2 3 6 7 5 9 11 4 8 10 5 12 15 13 14 16 17 18 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 2.809 2 3.618 3.309 2.309 2.809 3.3614 4.1844 1.69 3.928 1.4336 3.2442 1.7026 2.3738 3.9155 3.429 2.809 2.189 0.2694 -0.3184 -0.3184 -1.2694 -1.2694 1.2694 0.5509 -0.5705 0.2186 0.2186 -0.5705 -1.886 -1.3983 -1.886 -1.3983 1.2694 1.8894 1.2694 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 33.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0600000000000000000000000000000000180000000000000000000000000000000001800000000000D008000000200000000000000000000000000000000000000000000000000020000000000000000000000010000000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 methylcyclopentane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 methylcyclopentane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 methylcyclopentane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methylcyclopentane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 methylcyclopentane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 GDOPTJXRTPNYNR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 84.0939 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H12 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 84.15948 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1CCCC1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1CCCC1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 84.0939 6 0 0 0 0 0 0 0 1 1