2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole

C194H248N10O12S4 — CID 159792298

About 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole

2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (PubChem CID 159792298) has the molecular formula C194H248N10O12S4 and a molecular weight of 3040.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.

Molecular Properties

• Compound Name: 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
• PubChem CID: 159792298
• Molecular Formula: C194H248N10O12S4
• Molecular Weight: 3040.44 g/mol
• Exact Mass: 3037.80
• IUPAC Name: 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole
• SMILES: CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2c(cnn2C)c1.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.CC(C)Cc1ccc2oncc2c1.CC(C)Cc1ccc2sncc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1
• InChI: InChI=1S/C14H20O2.C14H20O.2C13H16O.2C13H16S.2C12H16N2.C12H16O2.C12H16O.C11H14N2.2C11H13NO.2C11H13NS.C11H14O2/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;6*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);4*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
• InChIKey: NISHWFSRNMQTDK-UHFFFAOYSA-N
• XLogP: 53.17
• TPSA: 242.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3040.44
LogP ≤ 5	53.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole (CID 159792298) is 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole.

What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is CC(C)Cc1ccc2c(c1)CC(C)(C)O2.CC(C)Cc1ccc2c(c1)CCO2.CC(C)Cc1ccc2c(c1)OCC(C)(C)O2.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2c(cnn2C)c1.CC(C)Cc1ccc2cn[nH]c2c1.CC(C)Cc1ccc2cnn(C)c2c1.CC(C)Cc1ccc2cnoc2c1.CC(C)Cc1ccc2cnsc2c1.CC(C)Cc1ccc2oncc2c1.CC(C)Cc1ccc2sncc2c1.Cc1cc2cc(CC(C)C)ccc2o1.Cc1cc2cc(CC(C)C)ccc2s1.Cc1cc2ccc(CC(C)C)cc2o1.Cc1cc2ccc(CC(C)C)cc2s1.

What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

The InChIKey is NISHWFSRNMQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C14H20O.2C13H16O.2C13H16S.2C12H16N2.C12H16O2.C12H16O.C11H14N2.2C11H13NO.2C11H13NS.C11H14O2/c1-10(2)7-11-5-6-12-13(8-11)15-9-14(3,4)16-12;1-10(2)7-11-5-6-13-12(8-11)9-14(3,4)15-13;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)6-11-4-5-12-7-10(3)14-13(12)8-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-9(2)6-10-4-5-11-8-13-14(3)12(11)7-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-10-7-12-13-11(10)6-9;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h5-6,8,10H,7,9H2,1-4H3;5-6,8,10H,7,9H2,1-4H3;6*4-5,7-9H,6H2,1-3H3;3-4,8-9H,5-7H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);4*3-4,6-8H,5H2,1-2H3;3-4,6,8H,5,7H2,1-2H3.

What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole?

2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole has a molecular weight of 3040.44 g/mol, XLogP of 53.17, 32 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-6-(2-methylpropyl)-3H-1,4-benzodioxine;2,2-dimethyl-5-(2-methylpropyl)-3H-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzofuran;2-methyl-6-(2-methylpropyl)-1-benzofuran;2-methyl-5-(2-methylpropyl)-1-benzothiophene;2-methyl-6-(2-methylpropyl)-1-benzothiophene;1-methyl-5-(2-methylpropyl)indazole;1-methyl-6-(2-methylpropyl)indazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1,2-benzothiazole;6-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-1,2-benzoxazole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2-methylpropyl)-2,3-dihydro-1-benzofuran;6-(2-methylpropyl)-1H-indazole is sourced from PubChem (CID 159792298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).