1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene

C240H368Cl3F4N9O17 — CID 158402076

IUPAC1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)(C)COc1ccn(C(C)(C)C)n1.CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)COc1ccc(C(C)C)cc1.CC(C)COc1ccc(C(C)C)cn1.CC(C)COc1ccc(F)c(C(C)C)c1.CC(C)COc1cccc(C(C)C)c1.CC(C)COc1cccc(C(C)C)n1.CC(C)COc1ccnc(C(C)C)c1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO.C13H19FO.3C13H21NO.2C13H20O.2C12H17ClO.C12H17FO.C12H22N2O.3C12H19NO.C12H18O.C12H18.C11H16.C10H11FO2.C10H20.C9H10ClF/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-4-7-14-12-8-10(9(2)3)5-6-11(12)13;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-11(2,3)9-15-10-7-8-14(13-10)12(4,5)6;1-9(2)8-14-11-5-6-13-12(7-11)10(3)4;1-9(2)8-14-12-6-5-11(7-13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11/h6-8,10-12H,9H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-6,8-9H,4,7H2,1-3H3;5-9H,1-4H3;7-8H,9H2,1-6H3;3*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3
InChIKeyGYFNYHUSTVRUSZ-UHFFFAOYSA-N
MW3833.98 g/mol
LogP72.31
Rot. Bonds60

About 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene

1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 158402076) has the molecular formula C240H368Cl3F4N9O17 and a molecular weight of 3833.98 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID158402076
Molecular FormulaC240H368Cl3F4N9O17
Molecular Weight3833.98 g/mol
Exact Mass3829.72
IUPAC Name1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)(C)COc1ccn(C(C)(C)C)n1.CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)COc1ccc(C(C)C)cc1.CC(C)COc1ccc(C(C)C)cn1.CC(C)COc1ccc(F)c(C(C)C)c1.CC(C)COc1cccc(C(C)C)c1.CC(C)COc1cccc(C(C)C)n1.CC(C)COc1ccnc(C(C)C)c1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO.C13H19FO.3C13H21NO.2C13H20O.2C12H17ClO.C12H17FO.C12H22N2O.3C12H19NO.C12H18O.C12H18.C11H16.C10H11FO2.C10H20.C9H10ClF/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-4-7-14-12-8-10(9(2)3)5-6-11(12)13;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-11(2,3)9-15-10-7-8-14(13-10)12(4,5)6;1-9(2)8-14-11-5-6-13-12(7-11)10(3)4;1-9(2)8-14-12-6-5-11(7-13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11/h6-8,10-12H,9H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-6,8-9H,4,7H2,1-3H3;5-9H,1-4H3;7-8H,9H2,1-6H3;3*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3
InChIKeyGYFNYHUSTVRUSZ-UHFFFAOYSA-N
XLogP72.31
TPSA264.96 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds60
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003833.98
LogP ≤ 572.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene with MolForge

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Launch Full Analysis

Related Compounds

1-Chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine
CID 157109914
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157244188
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157291618
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-yl-6-propan-2-yloxypyridine
CID 157319646
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157393264
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-yl-6-propan-2-yloxypyridine
CID 157393956
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157396914
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157410135
4-Chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 157439742
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157567878
1-Tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157738863
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;4-(2-methylpropoxy)-2-propan-2-ylpyridine;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 157895275

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 158402076) is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene is CC(C)(C)COc1ccn(C(C)(C)C)n1.CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)COc1ccc(C(C)C)cc1.CC(C)COc1ccc(C(C)C)cn1.CC(C)COc1ccc(F)c(C(C)C)c1.CC(C)COc1cccc(C(C)C)c1.CC(C)COc1cccc(C(C)C)n1.CC(C)COc1ccnc(C(C)C)c1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is GYFNYHUSTVRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C13H19FO.3C13H21NO.2C13H20O.2C12H17ClO.C12H17FO.C12H22N2O.3C12H19NO.C12H18O.C12H18.C11H16.C10H11FO2.C10H20.C9H10ClF/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-4-7-14-12-8-10(9(2)3)5-6-11(12)13;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-11(2,3)9-15-10-7-8-14(13-10)12(4,5)6;1-9(2)8-14-11-5-6-13-12(7-11)10(3)4;1-9(2)8-14-12-6-5-11(7-13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11/h6-8,10-12H,9H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-6,8-9H,4,7H2,1-3H3;5-9H,1-4H3;7-8H,9H2,1-6H3;3*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3.
What are the key properties of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?
1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 3833.98 g/mol, XLogP of 72.31, 60 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 158402076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).