1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane

C231H356N10O14 — CID 157095755

IUPAC1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
SMILESCC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)C(C)(C)C(=O)O.CC(C)C(C)(C)C(=O)OC(C)(C)C.CC(C)CCC(C)(C)C.CC(C)CCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCOc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/C15H23N.C13H16N2.C13H19NO.C13H20.C12H16O2.C12H18O.C11H20N2O.C11H17N.C11H22O2.3C11H16O.2C11H16.C10H16N2.2C10H14O.C10H14.C9H13N.C9H20.C7H14O2/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)11(6,7)9(12)13-10(3,4)5;1-8(2)10-6-5-9(3)11(7-10)12-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-9(3)6-5-7-10(11)4;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-11-10(8(3)4)12-6-9;1-8(2)10-5-3-4-9(6-10)7-11;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10-6-9;1-8(2)6-7-9(3,4)5;1-5(2)7(3,4)6(8)9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;8H,1-7H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-7H,1-3H3;8H,6-7H2,1-5H3;5H,1-4H3,(H,8,9)
InChIKeyAFEPJNMVMRGUSK-UHFFFAOYSA-N
MW3497.44 g/mol
LogP63.54
Rot. Bonds46

About 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane (PubChem CID 157095755) has the molecular formula C231H356N10O14 and a molecular weight of 3497.44 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
PubChem CID157095755
Molecular FormulaC231H356N10O14
Molecular Weight3497.44 g/mol
Exact Mass3494.75
IUPAC Name1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
SMILESCC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)C(C)(C)C(=O)O.CC(C)C(C)(C)C(=O)OC(C)(C)C.CC(C)CCC(C)(C)C.CC(C)CCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCOc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/C15H23N.C13H16N2.C13H19NO.C13H20.C12H16O2.C12H18O.C11H20N2O.C11H17N.C11H22O2.3C11H16O.2C11H16.C10H16N2.2C10H14O.C10H14.C9H13N.C9H20.C7H14O2/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)11(6,7)9(12)13-10(3,4)5;1-8(2)10-6-5-9(3)11(7-10)12-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-9(3)6-5-7-10(11)4;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-11-10(8(3)4)12-6-9;1-8(2)10-5-3-4-9(6-10)7-11;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10-6-9;1-8(2)6-7-9(3,4)5;1-5(2)7(3,4)6(8)9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;8H,1-7H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-7H,1-3H3;8H,6-7H2,1-5H3;5H,1-4H3,(H,8,9)
InChIKeyAFEPJNMVMRGUSK-UHFFFAOYSA-N
XLogP63.54
TPSA267.56 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003497.44
LogP ≤ 563.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159251946
1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 159463362
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid
CID 159617917
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;1-chloro-2-methoxy-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(3-methylbutylbenzene);2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 159714875
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159714891
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,5-trimethylhexane;3,3,4-trimethylpentan-2-one
CID 159741724
1-tert-butyl-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 159945039
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160470194
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;1-chloro-2-methoxy-4-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 160488792
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 160568011
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;4-[(3-propan-2-ylphenyl)methyl]morpholine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,5-trimethylhexane;2,2,5-trimethylhexanoic acid
CID 160669831
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane
CID 161579665

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane?
The IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane (CID 157095755) is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane.
What is the SMILES notation for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane?
The canonical SMILES for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane is CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)C(C)(C)C(=O)O.CC(C)C(C)(C)C(=O)OC(C)(C)C.CC(C)CCC(C)(C)C.CC(C)CCc1ccccc1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)OCc1ccccc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCOc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane?
The InChIKey is AFEPJNMVMRGUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H16N2.C13H19NO.C13H20.C12H16O2.C12H18O.C11H20N2O.C11H17N.C11H22O2.3C11H16O.2C11H16.C10H16N2.2C10H14O.C10H14.C9H13N.C9H20.C7H14O2/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)11(6,7)9(12)13-10(3,4)5;1-8(2)10-6-5-9(3)11(7-10)12-4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-9(3)6-5-7-10(11)4;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-11-10(8(3)4)12-6-9;1-8(2)10-5-3-4-9(6-10)7-11;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10-6-9;1-8(2)6-7-9(3,4)5;1-5(2)7(3,4)6(8)9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;5-10H,1-4H3;6-7,9H,8H2,1-5H3;5-9H,1-4H3;8H,1-7H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,4H2,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;3-6,8,11H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-7H,1-3H3;8H,6-7H2,1-5H3;5H,1-4H3,(H,8,9).
What are the key properties of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane?
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane has a molecular weight of 3497.44 g/mol, XLogP of 63.54, 46 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;tert-butyl 2,2,3-trimethylbutanoate;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;2,2,3-trimethylbutanoic acid;2,2,5-trimethylhexane is sourced from PubChem (CID 157095755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).