1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one

C135H216N4O8S2 — CID 158076909

IUPAC1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)CCc1cccc(C(C)(C)C)c1.CC(C)(C)CCc1ccnc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)c1.CC(C)(C)Oc1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)Oc1ccnc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C17H26O.C16H26.C15H23NO2.C15H25N.C15H24O3S.C15H24O2S.C15H24.C14H23N.C13H21N/c1-16(2,3)11-13-7-9-14(10-8-13)15(18)12-17(4,5)6;1-15(2,3)11-10-13-8-7-9-14(12-13)16(4,5)6;1-14(2,3)13(17)10-11-9-12(7-8-16-11)18-15(4,5)6;1-14(2,3)9-7-12-8-10-16-13(11-12)15(4,5)6;1-14(2,3)18-13-9-7-8-12(10-13)11-19(16,17)15(4,5)6;1-14(2,3)13-9-7-8-12(10-13)11-18(16,17)15(4,5)6;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)10-11-7-8-15-12(9-11)14(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-9H,1-6H3
InChIKeyFMMFDEZYSINFDV-UHFFFAOYSA-N
MW2087.37 g/mol
LogP37.12
Rot. Bonds17

About 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one

1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one (PubChem CID 158076909) has the molecular formula C135H216N4O8S2 and a molecular weight of 2087.37 g/mol. Its IUPAC name is 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
PubChem CID158076909
Molecular FormulaC135H216N4O8S2
Molecular Weight2087.37 g/mol
Exact Mass2085.61
IUPAC Name1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)CCc1cccc(C(C)(C)C)c1.CC(C)(C)CCc1ccnc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)c1.CC(C)(C)Oc1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)Oc1ccnc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C17H26O.C16H26.C15H23NO2.C15H25N.C15H24O3S.C15H24O2S.C15H24.C14H23N.C13H21N/c1-16(2,3)11-13-7-9-14(10-8-13)15(18)12-17(4,5)6;1-15(2,3)11-10-13-8-7-9-14(12-13)16(4,5)6;1-14(2,3)13(17)10-11-9-12(7-8-16-11)18-15(4,5)6;1-14(2,3)9-7-12-8-10-16-13(11-12)15(4,5)6;1-14(2,3)18-13-9-7-8-12(10-13)11-19(16,17)15(4,5)6;1-14(2,3)13-9-7-8-12(10-13)11-18(16,17)15(4,5)6;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)10-11-7-8-15-12(9-11)14(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-9H,1-6H3
InChIKeyFMMFDEZYSINFDV-UHFFFAOYSA-N
XLogP37.12
TPSA172.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.37
LogP ≤ 537.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 157758094
1-[4-(Tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
CID 158549695
bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one
CID 157165451
1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one;methane
CID 158842843
1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;1,3-ditert-butylbenzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
CID 158848467
2,10-Bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine
CID 159107525
2,10-Bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-dibenzofuran-1-yl-2-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-(3,5-diphenylphenyl)-2-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-(3,5-diphenylphenyl)-2-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 159322464
1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
CID 160072654
N-tert-butyl-3-[(2-methylpropan-2-yl)oxy]benzamide;1-(3-tert-butylphenyl)-3,3-dimethylbutan-2-one;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;N,3-ditert-butylbenzamide;1,4-ditert-butylbenzene;bis(2,5-ditert-butylpyridine);N,4-ditert-butylpyridine-2-carboxamide;3,3-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one
CID 160198354
2-Dibenzofuran-1-yl-10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-dibenzofuran-3-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;10-dibenzofuran-3-yl-2-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 160252878
3-Dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3-dibenzofuran-1-yl-10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3-dibenzofuran-1-yl-10-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 160422040
4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
CID 161089912

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one (CID 158076909) is 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)CCc1cccc(C(C)(C)C)c1.CC(C)(C)CCc1ccnc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1ccnc(C(C)(C)C)c1.CC(C)(C)Oc1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)Oc1ccnc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?
The InChIKey is FMMFDEZYSINFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C16H26.C15H23NO2.C15H25N.C15H24O3S.C15H24O2S.C15H24.C14H23N.C13H21N/c1-16(2,3)11-13-7-9-14(10-8-13)15(18)12-17(4,5)6;1-15(2,3)11-10-13-8-7-9-14(12-13)16(4,5)6;1-14(2,3)13(17)10-11-9-12(7-8-16-11)18-15(4,5)6;1-14(2,3)9-7-12-8-10-16-13(11-12)15(4,5)6;1-14(2,3)18-13-9-7-8-12(10-13)11-19(16,17)15(4,5)6;1-14(2,3)13-9-7-8-12(10-13)11-18(16,17)15(4,5)6;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)10-11-7-8-15-12(9-11)14(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-9H,1-6H3.
What are the key properties of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?
1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one has a molecular weight of 2087.37 g/mol, XLogP of 37.12, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 158076909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).