1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline

C188H240Cl4F4N4O5 — CID 158596146

IUPAC1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline
SMILESC=Cc1ccc(C(C)(C)C)cc1.CCC1CCC(c2ccc(C)c(F)c2)O1.CCC1CCC(c2ccc(Cl)cc2)O1.CCC1CCC(c2ccc(F)c(C)c2)O1.CCC1CCCN(c2ccccc2)C1.CCc1ccc(C#N)cc1.CCc1ccc(C(C)(C)C)nc1.CCc1ccc(C(C)C)cc1.CCc1ccc(C)c(C)c1.CCc1ccc(C)c(Cl)c1.CCc1ccc(CC)cc1.CCc1ccc(Cl)c(C)c1.CCc1ccc(F)c(F)c1.CCc1ccc(OC)cc1.CCc1ccc2occc2c1.CCc1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1
InChIInChI=1S/2C13H17FO.C13H19N.C12H15ClO.C12H16.C11H11N.C11H17N.2C11H16.C10H10O.2C10H14.2C9H11Cl.C9H9N.C9H12O.C8H8F2.C7H7Cl/c1-3-11-5-7-13(15-11)10-4-6-12(14)9(2)8-10;1-3-11-6-7-13(15-11)10-5-4-9(2)12(14)8-10;1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;1-4-10-6-5-8(2)9(3)7-10;1-3-9-5-7-10(4-2)8-6-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-5-4-7(2)9(10)6-8;1-2-8-3-5-9(7-10)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-2-6-3-4-7(9)8(10)5-6;1-6-2-4-7(8)5-3-6/h4,6,8,11,13H,3,5,7H2,1-2H3;4-5,8,11,13H,3,6-7H2,1-2H3;3-5,8-9,12H,2,6-7,10-11H2,1H3;3-6,11-12H,2,7-8H2,1H3;5-9H,1H2,2-4H3;3-8H,2H2,1H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,2H2,1H3;5-7H,4H2,1-3H3;5-8H,3-4H2,1-2H3;2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3
InChIKeyHVAXRVHDDMQGLS-UHFFFAOYSA-N
MW2853.81 g/mol
LogP55.49
Rot. Bonds23

About 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline

1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline (PubChem CID 158596146) has the molecular formula C188H240Cl4F4N4O5 and a molecular weight of 2853.81 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline
PubChem CID158596146
Molecular FormulaC188H240Cl4F4N4O5
Molecular Weight2853.81 g/mol
Exact Mass2849.73
IUPAC Name1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline
SMILESC=Cc1ccc(C(C)(C)C)cc1.CCC1CCC(c2ccc(C)c(F)c2)O1.CCC1CCC(c2ccc(Cl)cc2)O1.CCC1CCC(c2ccc(F)c(C)c2)O1.CCC1CCCN(c2ccccc2)C1.CCc1ccc(C#N)cc1.CCc1ccc(C(C)(C)C)nc1.CCc1ccc(C(C)C)cc1.CCc1ccc(C)c(C)c1.CCc1ccc(C)c(Cl)c1.CCc1ccc(CC)cc1.CCc1ccc(Cl)c(C)c1.CCc1ccc(F)c(F)c1.CCc1ccc(OC)cc1.CCc1ccc2occc2c1.CCc1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1
InChIInChI=1S/2C13H17FO.C13H19N.C12H15ClO.C12H16.C11H11N.C11H17N.2C11H16.C10H10O.2C10H14.2C9H11Cl.C9H9N.C9H12O.C8H8F2.C7H7Cl/c1-3-11-5-7-13(15-11)10-4-6-12(14)9(2)8-10;1-3-11-6-7-13(15-11)10-5-4-9(2)12(14)8-10;1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;1-4-10-6-5-8(2)9(3)7-10;1-3-9-5-7-10(4-2)8-6-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-5-4-7(2)9(10)6-8;1-2-8-3-5-9(7-10)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-2-6-3-4-7(9)8(10)5-6;1-6-2-4-7(8)5-3-6/h4,6,8,11,13H,3,5,7H2,1-2H3;4-5,8,11,13H,3,6-7H2,1-2H3;3-5,8-9,12H,2,6-7,10-11H2,1H3;3-6,11-12H,2,7-8H2,1H3;5-9H,1H2,2-4H3;3-8H,2H2,1H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,2H2,1H3;5-7H,4H2,1-3H3;5-8H,3-4H2,1-2H3;2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3
InChIKeyHVAXRVHDDMQGLS-UHFFFAOYSA-N
XLogP55.49
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002853.81
LogP ≤ 555.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);7-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-methyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1H-indole
CID 159639477
2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;bis(4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole);5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;6-tert-butylpyridine-2-carbonitrile;1-chloro-3,5-difluoro-2-(3-propan-2-ylphenyl)benzene;3-fluoro-2,4,4-trimethylpent-2-ene;1-phenoxy-3-propan-2-ylbenzene
CID 157648982
tert-butylbenzene;2-tert-butyl-1-benzofuran;1-tert-butyl-3-chlorobenzene;1-tert-butyl-3-chloro-2-methylbenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;5-tert-butyl-1-ethyl-2,3-dimethoxybenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;3-tert-butylphenol;4-(4-tert-butylphenyl)butan-2-one;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;8-tert-butylquinoline
CID 158282546
2-tert-butyl-6-(2-chloro-4,6-difluorophenyl)pyridine;2-tert-butyl-6-chloro-3-fluoropyridine;2-tert-butyl-6-cyclopropylpyridine;4-tert-butyl-3-(2,4-dichlorophenyl)-4H-pyrazole;3-tert-butyl-1,1-dimethylcyclohexane;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;2-tert-butyl-6-(2-methylphenyl)pyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;1-tert-butyl-3-phenoxybenzene;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
CID 158758595
1-chloro-2-[(E)-3-methylbut-1-enyl]benzene;1-chloro-3-[(E)-3-methylbut-1-enyl]benzene;1-chloro-4-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-2-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-3-[(E)-3-methylbut-1-enyl]benzene;1-fluoro-4-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-2-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;[(E)-3-methylbut-1-enyl]benzene;2-[(E)-3-methylbut-1-enyl]furan;3-[(E)-3-methylbut-1-enyl]-1H-indole;2-[(E)-3-methylbut-1-enyl]pyridine;3-[(E)-3-methylbut-1-enyl]pyridine;4-[(E)-3-methylbut-1-enyl]pyridine;2-[(E)-3-methylbut-1-enyl]-1H-pyrrole;1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene
CID 159351868
5-Tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butylisoquinoline;7-tert-butylisoquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 167653107
5-Tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butylisoquinoline;2-tert-butylnaphthalene;6-tert-butylquinoline;7-tert-butylquinoline
CID 167694337

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline?
The IUPAC name of 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline (CID 158596146) is 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline.
What is the SMILES notation for 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline?
The canonical SMILES for 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline is C=Cc1ccc(C(C)(C)C)cc1.CCC1CCC(c2ccc(C)c(F)c2)O1.CCC1CCC(c2ccc(Cl)cc2)O1.CCC1CCC(c2ccc(F)c(C)c2)O1.CCC1CCCN(c2ccccc2)C1.CCc1ccc(C#N)cc1.CCc1ccc(C(C)(C)C)nc1.CCc1ccc(C(C)C)cc1.CCc1ccc(C)c(C)c1.CCc1ccc(C)c(Cl)c1.CCc1ccc(CC)cc1.CCc1ccc(Cl)c(C)c1.CCc1ccc(F)c(F)c1.CCc1ccc(OC)cc1.CCc1ccc2occc2c1.CCc1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline?
The InChIKey is HVAXRVHDDMQGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17FO.C13H19N.C12H15ClO.C12H16.C11H11N.C11H17N.2C11H16.C10H10O.2C10H14.2C9H11Cl.C9H9N.C9H12O.C8H8F2.C7H7Cl/c1-3-11-5-7-13(15-11)10-4-6-12(14)9(2)8-10;1-3-11-6-7-13(15-11)10-5-4-9(2)12(14)8-10;1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-5-9-6-7-10(12-8-9)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;1-4-10-6-5-8(2)9(3)7-10;1-3-9-5-7-10(4-2)8-6-9;1-3-8-4-5-9(10)7(2)6-8;1-3-8-5-4-7(2)9(10)6-8;1-2-8-3-5-9(7-10)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-2-6-3-4-7(9)8(10)5-6;1-6-2-4-7(8)5-3-6/h4,6,8,11,13H,3,5,7H2,1-2H3;4-5,8,11,13H,3,6-7H2,1-2H3;3-5,8-9,12H,2,6-7,10-11H2,1H3;3-6,11-12H,2,7-8H2,1H3;5-9H,1H2,2-4H3;3-8H,2H2,1H3;6-8H,5H2,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,2H2,1H3;5-7H,4H2,1-3H3;5-8H,3-4H2,1-2H3;2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3.
What are the key properties of 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline?
1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline has a molecular weight of 2853.81 g/mol, XLogP of 55.49, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenylbenzene;2-tert-butyl-5-ethylpyridine;1-tert-butyl-4-methylbenzene;1-chloro-4-ethyl-2-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-4-methylbenzene;2-(4-chlorophenyl)-5-ethyloxolane;1,4-diethylbenzene;5-ethyl-1-benzofuran;4-ethylbenzonitrile;4-ethyl-1,2-difluorobenzene;4-ethyl-1,2-dimethylbenzene;2-ethyl-5-(3-fluoro-4-methylphenyl)oxolane;2-ethyl-5-(4-fluoro-3-methylphenyl)oxolane;1-ethyl-4-methoxybenzene;3-ethyl-1-phenylpiperidine;1-ethyl-4-propan-2-ylbenzene;3-ethylquinoline is sourced from PubChem (CID 158596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).