67825837 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 41 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 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 14 41 3 4 5 9 6 16 17 7 18 19 10 20 21 8 22 23 8 24 25 26 27 12 28 11 29 30 13 31 32 14 33 15 34 35 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 2 28 12 33 14 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 30 31 32 33 34 35 36 37 38 39 40 41 8.5 5.5 4.634 6.366 5 4.634 6.366 5.5 6 4 3.5 7 2.5 7.5 2 4.4219 4.0234 6.9766 6.5781 5.5826 4.8923 4.0234 4.4219 6.5781 6.9766 5.1015 5.8985 5.69 3.4174 4.1077 4.0826 3.3923 7.31 1.9174 2.6077 7.6077 6.9174 2.5369 1.69 1.4631 8.81 1.433 -0.299 -0.799 -0.799 0.567 -1.799 -1.799 -2.299 0.567 0.567 1.433 0.567 1.433 1.433 2.299 -0.2164 -0.9067 -0.9067 -0.2164 0.779 1.1776 -1.6914 -2.3816 -2.3816 -1.6914 -2.774 -2.774 1.1039 0.3549 -0.0436 1.6451 2.0436 0.0301 1.221 0.8224 2.0436 1.6451 2.609 2.836 1.989 1.97 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 178 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E0702000000000000000000000000000000000000000300000000000000000000000001A00000800000E00A080020200000002008000204200000000002000000808000000080014020001000010000080000810030080C00F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(1-pentylcyclohexyl)prop-2-en-1-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(1-pentylcyclohexyl)-2-propen-1-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-3-(1-pentylcyclohexyl)prop-2-en-1-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(1-pentylcyclohexyl)prop-2-en-1-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(1-pentylcyclohexyl)prop-2-en-1-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(1-amylcyclohexyl)prop-2-en-1-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H26O/c1-2-3-5-9-14(12-8-13-15)10-6-4-7-11-14/h8,12,15H,2-7,9-11,13H2,1H3/b12-8+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FHMPADFGAOTWGI-XYOKQWHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.198365449 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H26O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.36 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC1(CCCCC1)C=CCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC1(CCCCC1)/C=C/CO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.198365449 15 0 0 0 1 1 0 0 1 -1