1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

C201H311Cl2F8N11 — CID 161211154

IUPAC1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
SMILESCC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.2C13H21N.C12H18.C12H24.C11H15Cl.C11H14F3N.C11H15F.2C11H17N.C11H22.2C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;3*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;2*3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyUWGDJHQXUOTMQA-UHFFFAOYSA-N
MW3104.67 g/mol
LogP61.67
Rot. Bonds54

About 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (PubChem CID 161211154) has the molecular formula C201H311Cl2F8N11 and a molecular weight of 3104.67 g/mol. Its IUPAC name is 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.

Molecular Properties

Compound Name1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
PubChem CID161211154
Molecular FormulaC201H311Cl2F8N11
Molecular Weight3104.67 g/mol
Exact Mass3101.39
IUPAC Name1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
SMILESCC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.2C13H21N.C12H18.C12H24.C11H15Cl.C11H14F3N.C11H15F.2C11H17N.C11H22.2C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;3*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;2*3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyUWGDJHQXUOTMQA-UHFFFAOYSA-N
XLogP61.67
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds54
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003104.67
LogP ≤ 561.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine with MolForge

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Related Compounds

2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 134191452
2-[6-[4-[2-[3,5-Bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
CID 134191453
5-[2-[3,5-Bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
CID 134434241
4,6-Bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
CID 138743792
5-[2-[3,5-Bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 146379883
5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
CID 146649208
2-[4-[2,6-Bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 153434677
2-(3-Chlorophenyl)-5-(2-methylpropyl)pyridine;1-(1,1-difluoro-2-methylpropyl)-4-(4-ethylphenyl)benzene;1-(1,1-difluoro-2-methylpropyl)-4-phenylbenzene;1-(1,1-difluoro-2-methylpropyl)-4-propylbenzene;1-ethyl-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-fluoro-1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;4-fluoro-1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;5-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-phenylpyridine;1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;1-oxido-2-propan-2-yl-5-propylpyridin-1-ium;5-phenyl-2-propan-2-ylpyrimidine;1,1,7,7-tetrafluoro-8-methylnonane
CID 157128991
Tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
CID 157242321
1-Chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine
CID 157286026
1-Chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157675979
1-Chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157838041

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The IUPAC name of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (CID 161211154) is 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.
What is the SMILES notation for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The canonical SMILES for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCC1CCC(C)(C)C1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCc1ccc(C(F)(F)F)nc1.CC(C)CCc1ccc(Cl)cc1.CC(C)CCc1ccc(F)cc1.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CC(C)CCc1cncc(Cl)c1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cn1.Cc1cncc(CCC(C)C)c1.Cc1ncc(CCC(C)C)cn1.
What is the InChIKey of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
The InChIKey is UWGDJHQXUOTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.2C13H21N.C12H18.C12H24.C11H15Cl.C11H14F3N.C11H15F.2C11H17N.C11H22.2C11H16.C10H14ClN.C10H13F3N2.C10H16N2.C10H15N.C10H20/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)5-6-11-7-8-12(3,4)9-11;1-9(2)3-4-10-5-7-11(12)8-6-10;1-8(2)3-4-9-5-6-10(15-7-9)11(12,13)14;1-9(2)3-4-10-5-7-11(12)8-6-10;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)4-5-11-6-10(3)7-12-8-11;3*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)3-4-9-5-10(11)7-12-6-9;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)7-8-10-5-3-4-6-10/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;5-6,8-10H,4,7H2,1-3H3;10-11H,5-9H2,1-4H3;5-9H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;5,7-9H,4,6H2,1-3H3;6-9H,4-5H2,1-3H3;10-11H,3-9H2,1-2H3;2*3-7,10H,8-9H2,1-2H3;5-8H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;3-4,7-9H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?
1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine has a molecular weight of 3104.67 g/mol, XLogP of 61.67, 54 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methylbutyl)benzene;3-chloro-5-(3-methylbutyl)pyridine;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-(3-methylbutyl)benzene;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(3-methylbutylbenzene);3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-(3-methylbutyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;3-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is sourced from PubChem (CID 161211154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).