4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene

C230H288F9N9O15S2 — CID 167579964

IUPAC4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(F)cc2c1OCC2.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/5C13H17N.C12H15FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H12F2O2.C11H13NS.2C11H14O2.C10H12N2O.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;6-7H,4-5H2,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3
InChIKeyHBBBMEDUGZSEJA-UHFFFAOYSA-N
MW3654.00 g/mol
LogP67.13
Rot. Bonds

About 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene

4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene (PubChem CID 167579964) has the molecular formula C230H288F9N9O15S2 and a molecular weight of 3654.00 g/mol. Its IUPAC name is 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
PubChem CID167579964
Molecular FormulaC230H288F9N9O15S2
Molecular Weight3654.00 g/mol
Exact Mass3651.13
IUPAC Name4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(F)cc2c1OCC2.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/5C13H17N.C12H15FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H12F2O2.C11H13NS.2C11H14O2.C10H12N2O.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;6-7H,4-5H2,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3
InChIKeyHBBBMEDUGZSEJA-UHFFFAOYSA-N
XLogP67.13
TPSA244.93 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003654.00
LogP ≤ 567.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 167577006
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-fluoro-2-methyl-1,3-benzodioxole
CID 159156326
1-benzofuran;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;2H-chromene;bis(2,2-dimethylpropane)
CID 162050630
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 159075145
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 161492176
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;2-tert-butylquinoline;8-tert-butylquinoline
CID 158687537
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-2H-indazole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-2-methylindazole;3-tert-butyl-5-methyl-2H-indazole;3-tert-butyl-6-methyl-2H-indazole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 167611577
4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
CID 167565439
3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
CID 167667618
1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;tetrakis(2-methylpropane)
CID 157052254
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;ethane;4-(3-fluorophenyl)-1-methyltriazole;1H-imidazole;1H-indole;3H-indole;1-methyl-4-phenyltriazole;6-methyl-1H-pyrimidin-2-one;bis(1-methyltriazole);naphthalene;piperidine;pyridine;pyrimidine;quinoline
CID 159448381
1,5-dimethylindole;ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1,3,5-trimethyl-2,1,3-benzoxadiazole
CID 159130065

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene (CID 167579964) is 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene is CC(C)(C)c1cc(F)cc2c1OCC2.CC(C)(C)c1ccc(C(F)(F)F)o1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1csc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)o1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2cccc(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
The InChIKey is HBBBMEDUGZSEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H17N.C12H15FO.C12H15N.3C12H14O.C12H16O.C12H14O.C11H12F2O2.C11H13NS.2C11H14O2.C10H12N2O.C9H11F3O.C9H11F3S.C9H14O/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)10-7-9(13)6-8-4-5-14-11(8)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-8(2,3)6-4-5-7(13-6)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-7-5-6-8(10-7)9(2,3)4/h5*5-9H,1-4H3;6-7H,4-5H2,1-3H3;4-8,13H,1-3H3;3*4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;2*4-6H,7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;5-6H,1-4H3.
What are the key properties of 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene?
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene has a molecular weight of 3654.00 g/mol, XLogP of 67.13, 0 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 167579964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).