tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene

C178H255F3N10O18 — CID 157073393

IUPACtert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cc1OC.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H30O3.C16H22N2O.C16H23NO2.C16H25NO2.C14H21NO.C14H19NO.C13H20O3.C12H16N2.C12H17NO.C12H15N.C12H18O2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;7-8H,1-6H3;5-8H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6,8H,7H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3
InChIKeyACRORFQVTMCWOW-UHFFFAOYSA-N
MW2880.04 g/mol
LogP41.08
Rot. Bonds28

About tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene

tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene (PubChem CID 157073393) has the molecular formula C178H255F3N10O18 and a molecular weight of 2880.04 g/mol. Its IUPAC name is tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Nametert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene
PubChem CID157073393
Molecular FormulaC178H255F3N10O18
Molecular Weight2880.04 g/mol
Exact Mass2877.93
IUPAC Nametert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cc1OC.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H30O3.C16H22N2O.C16H23NO2.C16H25NO2.C14H21NO.C14H19NO.C13H20O3.C12H16N2.C12H17NO.C12H15N.C12H18O2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;7-8H,1-6H3;5-8H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6,8H,7H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3
InChIKeyACRORFQVTMCWOW-UHFFFAOYSA-N
XLogP41.08
TPSA273.65 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.04
LogP ≤ 541.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene with MolForge

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Related Compounds

tert-butyl 5-(4-tert-butylphenoxy)pentanoate;1-(5-tert-butyl-2-chlorophenoxy)-2-methylpropan-2-ol;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;1-tert-butyl-4-fluorobenzene;4-[(4-tert-butyl-2-fluorophenoxy)methyl]bicyclo[2.2.2]octan-1-amine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 157437517
tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 158986076
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 159916769
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 160733895
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;5-tert-butyl-1-methylindazole;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;N-(6-tert-butyl-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 160853119
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 161857485
tert-butyl (1S,4S)-5-[7-(6-fluoro-2-iodo-5-methylindazol-4-yl)-8-[[4-[1-[(2S)-1-[(2S,4R)-2-[[(1R)-1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]triazol-4-yl]phenyl]methoxy]-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 170955326
tert-butyl (1S,4S)-5-[7-(6-fluoro-5-methyl-2-tritylindazol-4-yl)-8-[[4-[1-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1R)-2-hydroxy-1-(4-pyridin-3-ylphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]triazol-4-yl]phenyl]methoxy]-2-[(2S)-2-methoxypropoxy]-6-(trifluoromethyl)quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 175991779
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;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;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;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
CID 161791960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene?
The IUPAC name of tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene (CID 157073393) is tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene.
What is the SMILES notation for tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene?
The canonical SMILES for tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene is CC(C)(C)OC(=O)CCCCOc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(N2CCCC2=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)NCCO2.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OCCCn2ccnc2)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.COc1cc(C(C)(C)C)cc(OC)c1OC.COc1ccc(C(C)(C)C)cc1OC.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene?
The InChIKey is ACRORFQVTMCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3.C16H22N2O.C16H23NO2.C16H25NO2.C14H21NO.C14H19NO.C13H20O3.C12H16N2.C12H17NO.C12H15N.C12H18O2.C11H13F3O.C11H16O/c1-18(2,3)15-10-12-16(13-11-15)21-14-8-7-9-17(20)22-19(4,5)6;1-16(2,3)14-6-4-7-15(12-14)19-11-5-9-18-10-8-17-13-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)11-6-8-12(9-7-11)15-10-4-5-13(15)16;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-11(2,3)10-6-4-5-9(7-10)8-12/h10-13H,7-9,14H2,1-6H3;4,6-8,10,12-13H,5,9,11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10H2,1-3H3;7-8H,1-6H3;5-8H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6,8H,7H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7,12H,8H2,1-3H3.
What are the key properties of tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene?
tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene has a molecular weight of 2880.04 g/mol, XLogP of 41.08, 28 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,2-dimethoxybenzene;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;1-[3-(3-tert-butylphenoxy)propyl]imidazole;(3-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)pyrrolidin-2-one;1-tert-butyl-3-(trifluoromethoxy)benzene;5-tert-butyl-1,2,3-trimethoxybenzene is sourced from PubChem (CID 157073393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).