637566 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 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 1 1 1 2 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 29 3 4 12 13 5 14 15 7 8 6 16 9 10 17 18 19 11 20 21 22 23 24 25 26 27 28 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 7 8 20 11 2 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 8.9282 5.4641 4.5981 6.3301 3.732 2.866 6.3301 7.1962 2 2.866 8.0622 5.8626 5.0656 4.1996 4.9966 3.732 5.7101 6.3301 6.9501 7.1962 2.31 1.4631 1.69 2.246 2.866 3.486 7.6636 8.4607 9.4651 0.44 0.44 -0.06 -0.06 0.44 -0.06 -1.06 0.44 0.44 -1.06 -0.06 0.9149 0.9149 -0.5349 -0.5349 1.06 -1.06 -1.68 -1.06 1.06 0.9769 0.75 -0.0969 -1.06 -1.68 -1.06 -0.5349 -0.5349 0.13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 150 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0702000000000000000000000000000000000000000000000000000000000000000001A00000800000C00A080020200000002008002204200000000002000000008000000080014020001000010000080000810020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3,7-dimethylocta-2,6-dien-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3,7-dimethyl-1-octa-2,6-dienol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3,7-dimethylocta-2,6-dien-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3,7-dimethylocta-2,6-dien-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2E)-3,7-dimethylocta-2,6-dien-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 GLZPCOQZEFWAFX-JXMROGBWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.135765 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H18O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.24932 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=CCCC(=CCO)C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=CCC/C(=C/CO)/C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 154.135765 11 0 0 0 1 1 0 0 1 1