5281553 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 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 3 4 11 12 3 6 7 13 5 14 8 9 15 16 17 18 19 20 21 22 23 10 24 25 26 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 1 14 5 8 9 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 4.5981 2.866 3.732 5.4641 6.3301 2 2.866 6.3301 7.1962 8.0622 4.9966 4.1996 3.732 5.4641 1.69 1.4631 2.31 3.486 2.866 2.246 6.9501 6.3301 5.7101 7.1962 8.5991 8.0622 0.06 0.06 -0.44 -0.44 0.06 -0.44 1.06 1.06 -0.44 0.06 0.5349 0.5349 -1.06 -1.06 0.0969 -0.75 -0.9769 1.06 1.68 1.06 1.06 1.68 1.06 -1.06 -0.25 0.68 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 155 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0700000000000000000000000000000000000000000000000000000000000000000001800000000000C008000000200000000008002204200000000002000000808000000080800000001000000000000000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (3E)-3,7-dimethylocta-1,3,6-triene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (3E)-3,7-dimethylocta-1,3,6-triene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (3E)-3,7-dimethylocta-1,3,6-triene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (3E)-3,7-dimethylocta-1,3,6-triene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (3E)-3,7-dimethylocta-1,3,6-triene InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+ InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IHPKGUQCSIINRJ-CSKARUKUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 136.125201 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H16 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 136.23404 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=CCC=C(C)C=C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=CC/C=C(\C)/C=C)C 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 2011.09.13 136.125201 10 0 0 0 1 1 0 0 1 1