5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene

C184H239FN12O18S4 — CID 158871887

IUPAC5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene
SMILESCC(C)(C)/C=C/c1ccccc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)COc1ccccc1.CC(C)(C)c1cc2c(cc1F)SCC(=O)N2.CC(C)(C)c1cc2c(cn1)OCCO2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2c(c1)NC(=O)CS2.CC(C)(C)c1ccc2c(c1)OCCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2c(n1)NC(=O)CS2.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.Cc1cc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C13H18O2.C13H16O.C12H14FNOS.C12H15NO2.C12H15NOS.C12H16O2.C12H18.C12H16.C11H14N2OS.C11H15NO2.C11H13NO2.C11H15N.C11H14O2.C11H16O.C10H12N2O.C10H12N2S/c1-13(2,3)10-5-6-11-12(9-10)15-8-4-7-14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)7-4-9-10(5-8(7)13)16-6-11(15)14-9;2*1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-5-4-7-10(12-8)13-9(14)6-15-7;1-11(2,3)10-6-8-9(7-12-10)14-5-4-13-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-12-10-7-5-4-6-8-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,9H,4,7-8H2,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3,(H,14,15);2*4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;4-8H,9-10H2,1-3H3;4-10H,1-3H3;4-5H,6H2,1-3H3,(H,12,13,14);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,12,13);4-9H,1-3H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-6H,1-3H3/b;;;;;;;10-9+;;;;8-7+;;;;
InChIKeyJBYHTYIXUSBRHR-ZCYUPFFESA-N
MW3054.27 g/mol
LogP47.33
Rot. Bonds6

About 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene

5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene (PubChem CID 158871887) has the molecular formula C184H239FN12O18S4 and a molecular weight of 3054.27 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene
PubChem CID158871887
Molecular FormulaC184H239FN12O18S4
Molecular Weight3054.27 g/mol
Exact Mass3051.70
IUPAC Name5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene
SMILESCC(C)(C)/C=C/c1ccccc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)COc1ccccc1.CC(C)(C)c1cc2c(cc1F)SCC(=O)N2.CC(C)(C)c1cc2c(cn1)OCCO2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2c(c1)NC(=O)CS2.CC(C)(C)c1ccc2c(c1)OCCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2c(n1)NC(=O)CS2.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.Cc1cc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C13H18O2.C13H16O.C12H14FNOS.C12H15NO2.C12H15NOS.C12H16O2.C12H18.C12H16.C11H14N2OS.C11H15NO2.C11H13NO2.C11H15N.C11H14O2.C11H16O.C10H12N2O.C10H12N2S/c1-13(2,3)10-5-6-11-12(9-10)15-8-4-7-14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)7-4-9-10(5-8(7)13)16-6-11(15)14-9;2*1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-5-4-7-10(12-8)13-9(14)6-15-7;1-11(2,3)10-6-8-9(7-12-10)14-5-4-13-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-12-10-7-5-4-6-8-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,9H,4,7-8H2,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3,(H,14,15);2*4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;4-8H,9-10H2,1-3H3;4-10H,1-3H3;4-5H,6H2,1-3H3,(H,12,13,14);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,12,13);4-9H,1-3H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-6H,1-3H3/b;;;;;;;10-9+;;;;8-7+;;;;
InChIKeyJBYHTYIXUSBRHR-ZCYUPFFESA-N
XLogP47.33
TPSA371.21 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds6
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.27
LogP ≤ 547.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene?
The IUPAC name of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene (CID 158871887) is 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene.
What is the SMILES notation for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene?
The canonical SMILES for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene is CC(C)(C)/C=C/c1ccccc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)CCc1ccccc1.CC(C)(C)COc1ccccc1.CC(C)(C)c1cc2c(cc1F)SCC(=O)N2.CC(C)(C)c1cc2c(cn1)OCCO2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2c(c1)NC(=O)CS2.CC(C)(C)c1ccc2c(c1)OCCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2c(n1)NC(=O)CS2.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.Cc1cc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene?
The InChIKey is JBYHTYIXUSBRHR-ZCYUPFFESA-N. The full InChI is InChI=1S/C13H18O2.C13H16O.C12H14FNOS.C12H15NO2.C12H15NOS.C12H16O2.C12H18.C12H16.C11H14N2OS.C11H15NO2.C11H13NO2.C11H15N.C11H14O2.C11H16O.C10H12N2O.C10H12N2S/c1-13(2,3)10-5-6-11-12(9-10)15-8-4-7-14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)7-4-9-10(5-8(7)13)16-6-11(15)14-9;2*1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-5-4-7-10(12-8)13-9(14)6-15-7;1-11(2,3)10-6-8-9(7-12-10)14-5-4-13-8;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-12-10-7-5-4-6-8-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,9H,4,7-8H2,1-3H3;5-8H,1-4H3;4-5H,6H2,1-3H3,(H,14,15);2*4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;4-8H,9-10H2,1-3H3;4-10H,1-3H3;4-5H,6H2,1-3H3,(H,12,13,14);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,12,13);4-9H,1-3H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-6H,1-3H3/b;;;;;;;10-9+;;;;8-7+;;;;.
What are the key properties of 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene?
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene has a molecular weight of 3054.27 g/mol, XLogP of 47.33, 6 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzodioxole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene is sourced from PubChem (CID 158871887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).