5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane

C241H357F4N11O19 — CID 157373019

IUPAC5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C1CCCOC1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CC1(C)Oc2ccc(C(C)(C)C)cc2O1.Cc1cc2c(cc1C(C)(C)C)OCO2.Cn1nccc1C(C)(C)C
InChIInChI=1S/C17H22N2.C13H18O2.2C13H18O.C12H15NO.2C12H16O2.C12H16O.C12H14O.C12H18.2C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C11H22O.C10H15N.2C9H13N.C8H14N2.11CH4/c1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-12(2,3)9-6-7-10-11(8-9)15-13(4,5)14-10;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(11(2,3)4)10-6-5-7-12-8-10;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;;;;;;;;;;;/h4-6,10-11,18-19H,7-9H2,1-3H3;6-8H,1-5H3;6-7,9H,4-5,8H2,1-3H3;4-7,11H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);5-6H,7H2,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;11*1H4
InChIKeyBJZKBFPNZPRKKP-UHFFFAOYSA-N
MW3788.56 g/mol
LogP67.53
Rot. Bonds4

About 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane

5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane (PubChem CID 157373019) has the molecular formula C241H357F4N11O19 and a molecular weight of 3788.56 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
PubChem CID157373019
Molecular FormulaC241H357F4N11O19
Molecular Weight3788.56 g/mol
Exact Mass3785.72
IUPAC Name5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C1CCCOC1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CC1(C)Oc2ccc(C(C)(C)C)cc2O1.Cc1cc2c(cc1C(C)(C)C)OCO2.Cn1nccc1C(C)(C)C
InChIInChI=1S/C17H22N2.C13H18O2.2C13H18O.C12H15NO.2C12H16O2.C12H16O.C12H14O.C12H18.2C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C11H22O.C10H15N.2C9H13N.C8H14N2.11CH4/c1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-12(2,3)9-6-7-10-11(8-9)15-13(4,5)14-10;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(11(2,3)4)10-6-5-7-12-8-10;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;;;;;;;;;;;/h4-6,10-11,18-19H,7-9H2,1-3H3;6-8H,1-5H3;6-7,9H,4-5,8H2,1-3H3;4-7,11H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);5-6H,7H2,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;11*1H4
InChIKeyBJZKBFPNZPRKKP-UHFFFAOYSA-N
XLogP67.53
TPSA328.94 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds4
Heavy Atoms275
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003788.56
LogP ≤ 567.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane?
The IUPAC name of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane (CID 157373019) is 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane.
What is the SMILES notation for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane?
The canonical SMILES for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane is C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1CCOc2ccccc21.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C1CCCOC1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CC1(C)Oc2ccc(C(C)(C)C)cc2O1.Cc1cc2c(cc1C(C)(C)C)OCO2.Cn1nccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane?
The InChIKey is BJZKBFPNZPRKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C13H18O2.2C13H18O.C12H15NO.2C12H16O2.C12H16O.C12H14O.C12H18.2C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C11H22O.C10H15N.2C9H13N.C8H14N2.11CH4/c1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-12(2,3)9-6-7-10-11(8-9)15-13(4,5)14-10;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(12(2,3)4)11-8-6-5-7-9-11;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(11(2,3)4)10-6-5-7-12-8-10;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;;;;;;;;;;;/h4-6,10-11,18-19H,7-9H2,1-3H3;6-8H,1-5H3;6-7,9H,4-5,8H2,1-3H3;4-7,11H,8-9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);5-6H,7H2,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;9-10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;11*1H4.
What are the key properties of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane?
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane has a molecular weight of 3788.56 g/mol, XLogP of 67.53, 4 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane is sourced from PubChem (CID 157373019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).