4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol

C181H281N11O16S — CID 160741034

IUPAC4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol
SMILESCC/C=C/c1ccnc(OCC2CCCCC2)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)n1.CCCC(O)c1cc(OCC2CCCCC2)ccn1.CCCC(O)c1cccc(/C=C/C2CCCCC2)n1.CCCC(O)c1cccc(CCC2CCCCC2)n1.CCCC(O)c1cccc(OCC2CCCCC2)n1.CCCC(O)c1ccnc(OCC2CCCCC2)c1.CCCC(O)c1cncc(/C=C/C2CCCCC2)c1.CCCC(O)c1cncc(CCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)n1.CCC[C@@H](O)c1cccc(SCC2CCCCC2)n1
InChIInChI=1S/C17H29NO2.C17H27NO.C17H25NO.C17H27NO.C17H25NO.4C16H25NO2.C16H25NOS.C16H23NO/c1-4-8-14(9-5-2)13-20-17-12-7-11-15(18-17)16(19)10-6-3;2*1-2-7-17(19)16-11-6-10-15(18-16)13-12-14-8-4-3-5-9-14;2*1-2-6-17(19)16-11-15(12-18-13-16)10-9-14-7-4-3-5-8-14;2*1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-6-16(18)15-11-14(9-10-17-15)19-12-13-7-4-3-5-8-13;1-2-6-15(18)14-9-10-17-16(11-14)19-12-13-7-4-3-5-8-13;1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-3-7-14-10-11-17-16(12-14)18-13-15-8-5-4-6-9-15/h7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3;6,10-11,14,17,19H,2-5,7-9,12-13H2,1H3;6,10-14,17,19H,2-5,7-9H2,1H3;11-14,17,19H,2-10H2,1H3;9-14,17,19H,2-8H2,1H3;2*6,10-11,13,15,18H,2-5,7-9,12H2,1H3;9-11,13,16,18H,2-8,12H2,1H3;9-11,13,15,18H,2-8,12H2,1H3;6,10-11,13,15,18H,2-5,7-9,12H2,1H3;3,7,10-12,15H,2,4-6,8-9,13H2,1H3/b;;13-12+;;10-9+;;;;;;7-3+/t16-;;;;;15-;;;;15-;/m1....1...1./s1
InChIKeyRVOVYPTYIYIBIQ-XOJOIIGTSA-N
MW2899.37 g/mol
LogP46.93
Rot. Bonds67

About 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol

4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol (PubChem CID 160741034) has the molecular formula C181H281N11O16S and a molecular weight of 2899.37 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol
PubChem CID160741034
Molecular FormulaC181H281N11O16S
Molecular Weight2899.37 g/mol
Exact Mass2897.12
IUPAC Name4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol
SMILESCC/C=C/c1ccnc(OCC2CCCCC2)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)n1.CCCC(O)c1cc(OCC2CCCCC2)ccn1.CCCC(O)c1cccc(/C=C/C2CCCCC2)n1.CCCC(O)c1cccc(CCC2CCCCC2)n1.CCCC(O)c1cccc(OCC2CCCCC2)n1.CCCC(O)c1ccnc(OCC2CCCCC2)c1.CCCC(O)c1cncc(/C=C/C2CCCCC2)c1.CCCC(O)c1cncc(CCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)n1.CCC[C@@H](O)c1cccc(SCC2CCCCC2)n1
InChIInChI=1S/C17H29NO2.C17H27NO.C17H25NO.C17H27NO.C17H25NO.4C16H25NO2.C16H25NOS.C16H23NO/c1-4-8-14(9-5-2)13-20-17-12-7-11-15(18-17)16(19)10-6-3;2*1-2-7-17(19)16-11-6-10-15(18-16)13-12-14-8-4-3-5-9-14;2*1-2-6-17(19)16-11-15(12-18-13-16)10-9-14-7-4-3-5-8-14;2*1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-6-16(18)15-11-14(9-10-17-15)19-12-13-7-4-3-5-8-13;1-2-6-15(18)14-9-10-17-16(11-14)19-12-13-7-4-3-5-8-13;1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-3-7-14-10-11-17-16(12-14)18-13-15-8-5-4-6-9-15/h7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3;6,10-11,14,17,19H,2-5,7-9,12-13H2,1H3;6,10-14,17,19H,2-5,7-9H2,1H3;11-14,17,19H,2-10H2,1H3;9-14,17,19H,2-8H2,1H3;2*6,10-11,13,15,18H,2-5,7-9,12H2,1H3;9-11,13,16,18H,2-8,12H2,1H3;9-11,13,15,18H,2-8,12H2,1H3;6,10-11,13,15,18H,2-5,7-9,12H2,1H3;3,7,10-12,15H,2,4-6,8-9,13H2,1H3/b;;13-12+;;10-9+;;;;;;7-3+/t16-;;;;;15-;;;;15-;/m1....1...1./s1
InChIKeyRVOVYPTYIYIBIQ-XOJOIIGTSA-N
XLogP46.93
TPSA399.47 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds67
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002899.37
LogP ≤ 546.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[(Z)-1-[6-[2-(methylamino)ethylsulfanyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(methylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]but-1-enyl]phenol
CID 157737401
4-Benzhydrylpyridine;2,6-dimethylpyridine;2-ethoxypyridine;2-propylpyridine;1-pyridin-4-ylethanol;pyridin-2-ylmethanol;2-pyridin-4-ylpropan-2-ol;2,4,6-trimethylpyridine
CID 157938829
bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane
CID 158419435
bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;methoxyethane;methoxymethane;N-methylformamide;2-methylpyridine
CID 158424737
bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-diethyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-dimethyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-ethyl-methyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;pentakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);ethane;ethene;methane
CID 158831627
4-Isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine
CID 159195785
4-Isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-4-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine
CID 159696492
(1R)-1-[6-(cycloheptylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-(6-cycloheptyloxy-2-pyridinyl)butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfonyl)-2-pyridinyl]butan-1-ol;(1R)-1-(6-cyclohexyloxy-2-pyridinyl)butan-1-ol;(1R)-1-[6-(cyclopentylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(2-ethylbutoxy)-2-pyridinyl]butan-1-ol;5-[(E)-2-[6-[(1R)-1-hydroxybutyl]-2-pyridinyl]ethenyl]nonan-5-ol;5-[2-[6-[(1R)-1-hydroxybutyl]-2-pyridinyl]ethyl]nonan-5-ol
CID 161565633
3-[2-[4-(4-Cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 165010191
2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)
CID 165022164
3-[2-[4-(4-Cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 165107591

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol?
The IUPAC name of 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol (CID 160741034) is 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol?
The canonical SMILES for 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol is CC/C=C/c1ccnc(OCC2CCCCC2)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)n1.CCCC(O)c1cc(OCC2CCCCC2)ccn1.CCCC(O)c1cccc(/C=C/C2CCCCC2)n1.CCCC(O)c1cccc(CCC2CCCCC2)n1.CCCC(O)c1cccc(OCC2CCCCC2)n1.CCCC(O)c1ccnc(OCC2CCCCC2)c1.CCCC(O)c1cncc(/C=C/C2CCCCC2)c1.CCCC(O)c1cncc(CCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)n1.CCC[C@@H](O)c1cccc(SCC2CCCCC2)n1.
What is the InChIKey of 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol?
The InChIKey is RVOVYPTYIYIBIQ-XOJOIIGTSA-N. The full InChI is InChI=1S/C17H29NO2.C17H27NO.C17H25NO.C17H27NO.C17H25NO.4C16H25NO2.C16H25NOS.C16H23NO/c1-4-8-14(9-5-2)13-20-17-12-7-11-15(18-17)16(19)10-6-3;2*1-2-7-17(19)16-11-6-10-15(18-16)13-12-14-8-4-3-5-9-14;2*1-2-6-17(19)16-11-15(12-18-13-16)10-9-14-7-4-3-5-8-14;2*1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-6-16(18)15-11-14(9-10-17-15)19-12-13-7-4-3-5-8-13;1-2-6-15(18)14-9-10-17-16(11-14)19-12-13-7-4-3-5-8-13;1-2-7-15(18)14-10-6-11-16(17-14)19-12-13-8-4-3-5-9-13;1-2-3-7-14-10-11-17-16(12-14)18-13-15-8-5-4-6-9-15/h7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3;6,10-11,14,17,19H,2-5,7-9,12-13H2,1H3;6,10-14,17,19H,2-5,7-9H2,1H3;11-14,17,19H,2-10H2,1H3;9-14,17,19H,2-8H2,1H3;2*6,10-11,13,15,18H,2-5,7-9,12H2,1H3;9-11,13,16,18H,2-8,12H2,1H3;9-11,13,15,18H,2-8,12H2,1H3;6,10-11,13,15,18H,2-5,7-9,12H2,1H3;3,7,10-12,15H,2,4-6,8-9,13H2,1H3/b;;13-12+;;10-9+;;;;;;7-3+/t16-;;;;;15-;;;;15-;/m1....1...1./s1.
What are the key properties of 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol?
4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol has a molecular weight of 2899.37 g/mol, XLogP of 46.93, 67 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 160741034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).