4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine

C177H251F23N10O11 — CID 163450676

IUPAC4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
SMILESCC(=O)CC(C(C)C)C1CCCCC1.CC(C)CC1(C#N)CCCCC1.CC(C)CCc1ccc(OC(F)(F)F)cc1.CC(C)CCc1cncc(C(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)cn1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(OC(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CCOc1cccc(CCC(C)C)c1.COc1cc(CC(C)C)ccn1.COc1ccc(CC(C)C)cc1C(F)(F)F.COc1ccc(CCC(C)C)cn1.COc1cccc(CC(C)C)n1.COc1cccc(CCC(C)C)n1.COc1ncccc1CCC(C)C
InChIInChI=1S/C13H24O.C13H20O.2C12H15F3O.C11H14F3N.C11H13F3O.C11H14F2O.3C11H17NO.C11H19N.3C10H12F3N.2C10H15NO/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12;1-4-14-13-7-5-6-12(10-13)9-8-11(2)3;1-8(2)6-9-4-5-11(16-3)10(7-9)12(13,14)15;1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15;1-8(2)3-4-9-5-10(7-15-6-9)11(12,13)14;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)14-11(12)13;1-9(2)4-5-10-6-7-11(13-3)12-8-10;1-9(2)6-7-10-5-4-8-12-11(10)13-3;1-9(2)7-8-10-5-4-6-11(12-10)13-3;1-10(2)8-11(9-12)6-4-3-5-7-11;1-7(2)5-9-4-3-8(6-14-9)10(11,12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-11-10(7-9)12-3;1-8(2)7-9-5-4-6-10(11-9)12-3/h10,12-13H,4-9H2,1-3H3;5-7,10-11H,4,8-9H2,1-3H3;4-5,7-8H,6H2,1-3H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,3-8H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3
InChIKeyBGIFAJUYLWQYLO-UHFFFAOYSA-N
MW3131.97 g/mol
LogP52.55
Rot. Bonds52

About 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine

4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine (PubChem CID 163450676) has the molecular formula C177H251F23N10O11 and a molecular weight of 3131.97 g/mol. Its IUPAC name is 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
PubChem CID163450676
Molecular FormulaC177H251F23N10O11
Molecular Weight3131.97 g/mol
Exact Mass3129.90
IUPAC Name4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
SMILESCC(=O)CC(C(C)C)C1CCCCC1.CC(C)CC1(C#N)CCCCC1.CC(C)CCc1ccc(OC(F)(F)F)cc1.CC(C)CCc1cncc(C(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)cn1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(OC(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CCOc1cccc(CCC(C)C)c1.COc1cc(CC(C)C)ccn1.COc1ccc(CC(C)C)cc1C(F)(F)F.COc1ccc(CCC(C)C)cn1.COc1cccc(CC(C)C)n1.COc1cccc(CCC(C)C)n1.COc1ncccc1CCC(C)C
InChIInChI=1S/C13H24O.C13H20O.2C12H15F3O.C11H14F3N.C11H13F3O.C11H14F2O.3C11H17NO.C11H19N.3C10H12F3N.2C10H15NO/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12;1-4-14-13-7-5-6-12(10-13)9-8-11(2)3;1-8(2)6-9-4-5-11(16-3)10(7-9)12(13,14)15;1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15;1-8(2)3-4-9-5-10(7-15-6-9)11(12,13)14;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)14-11(12)13;1-9(2)4-5-10-6-7-11(13-3)12-8-10;1-9(2)6-7-10-5-4-8-12-11(10)13-3;1-9(2)7-8-10-5-4-6-11(12-10)13-3;1-10(2)8-11(9-12)6-4-3-5-7-11;1-7(2)5-9-4-3-8(6-14-9)10(11,12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-11-10(7-9)12-3;1-8(2)7-9-5-4-6-10(11-9)12-3/h10,12-13H,4-9H2,1-3H3;5-7,10-11H,4,8-9H2,1-3H3;4-5,7-8H,6H2,1-3H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,3-8H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3
InChIKeyBGIFAJUYLWQYLO-UHFFFAOYSA-N
XLogP52.55
TPSA249.17 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds52
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003131.97
LogP ≤ 552.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine
CID 57968013
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine
CID 57968081
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;propan-2-ylcyclohexane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
CID 157257878
4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one
CID 157267525
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157280274
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157586124
3-Tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157636226
3-Tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157779080
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975
1,1'-Biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;pyridine;3-pyridin-3-ylpyridine
CID 158259632
3-Tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;5-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 158630411
3-[4-(cyclopropylmethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;3-[4-(2-methoxyethoxy)phenyl]-2-propan-2-ylpyridine
CID 158754544

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine (CID 163450676) is 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine is CC(=O)CC(C(C)C)C1CCCCC1.CC(C)CC1(C#N)CCCCC1.CC(C)CCc1ccc(OC(F)(F)F)cc1.CC(C)CCc1cncc(C(F)(F)F)c1.CC(C)Cc1ccc(C(F)(F)F)cn1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(OC(F)F)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CCOc1cccc(CCC(C)C)c1.COc1cc(CC(C)C)ccn1.COc1ccc(CC(C)C)cc1C(F)(F)F.COc1ccc(CCC(C)C)cn1.COc1cccc(CC(C)C)n1.COc1cccc(CCC(C)C)n1.COc1ncccc1CCC(C)C.
What is the InChIKey of 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The InChIKey is BGIFAJUYLWQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C13H20O.2C12H15F3O.C11H14F3N.C11H13F3O.C11H14F2O.3C11H17NO.C11H19N.3C10H12F3N.2C10H15NO/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12;1-4-14-13-7-5-6-12(10-13)9-8-11(2)3;1-8(2)6-9-4-5-11(16-3)10(7-9)12(13,14)15;1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15;1-8(2)3-4-9-5-10(7-15-6-9)11(12,13)14;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)14-11(12)13;1-9(2)4-5-10-6-7-11(13-3)12-8-10;1-9(2)6-7-10-5-4-8-12-11(10)13-3;1-9(2)7-8-10-5-4-6-11(12-10)13-3;1-10(2)8-11(9-12)6-4-3-5-7-11;1-7(2)5-9-4-3-8(6-14-9)10(11,12)13;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-8(2)6-9-4-5-11-10(7-9)12-3;1-8(2)7-9-5-4-6-10(11-9)12-3/h10,12-13H,4-9H2,1-3H3;5-7,10-11H,4,8-9H2,1-3H3;4-5,7-8H,6H2,1-3H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-6,9H,7-8H2,1-3H3;10H,3-8H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3.
What are the key properties of 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 3131.97 g/mol, XLogP of 52.55, 52 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methylhexan-2-one;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1-ethoxy-3-(3-methylbutyl)benzene;2-methoxy-3-(3-methylbutyl)pyridine;2-methoxy-5-(3-methylbutyl)pyridine;2-methoxy-6-(3-methylbutyl)pyridine;2-methoxy-4-(2-methylpropyl)pyridine;2-methoxy-6-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;1-(3-methylbutyl)-4-(trifluoromethoxy)benzene;3-(3-methylbutyl)-5-(trifluoromethyl)pyridine;1-(2-methylpropyl)cyclohexane-1-carbonitrile;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 163450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).