3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine

C162H270FN9O13 — CID 158309609

About 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine

3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine (PubChem CID 158309609) has the molecular formula C162H270FN9O13 and a molecular weight of 2570.99 g/mol. Its IUPAC name is 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine.

Molecular Properties

• Compound Name: 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
• PubChem CID: 158309609
• Molecular Formula: C162H270FN9O13
• Molecular Weight: 2570.99 g/mol
• Exact Mass: 2569.07
• IUPAC Name: 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
• SMILES: CC(C)(C)C1CCOCC1.CC(C)(C)C1CCOc2ccc(F)cc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)CC1CCCO1.CC(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1cccc2c1OCCCO2.CC(C)(C)Cc1cccc2c1OCCO2.CN1CCCCC1CC(C)(C)C.Cc1cc(CC(C)(C)C)n(C)n1.Cn1cncc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C
• InChI: InChI=1S/C15H20N2.C15H29NO2.C14H20O2.C13H17FO.C13H18O2.C12H16O2.C12H16O.C11H23N.C10H18N2.C10H21N.C10H20O.C9H16N2.2C9H18O/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-14(2,3)11-12-7-9-16(10-8-12)13(17)18-15(4,5)6;1-14(2,3)10-11-6-4-7-12-13(11)16-9-5-8-15-12;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)9-10-5-4-6-11-12(10)15-8-7-14-11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-10-7-5-6-8-12(10)4;1-8-6-9(12(5)11-8)7-10(2,3)4;2*1-10(2,3)8-9-4-6-11-7-5-9;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)7-8-5-4-6-10-8/h5-10H,11H2,1-4H3;12H,7-11H2,1-6H3;4,6-7H,5,8-10H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-6H,7-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-7,10H,8H2,1-3H3;10H,5-9H2,1-4H3;6H,7H2,1-5H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;6-7H,5H2,1-4H3;2*8H,4-7H2,1-3H3
• InChIKey: GNNCKFYSZVMPQX-UHFFFAOYSA-N
• XLogP: 41.74
• TPSA: 199.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.99
LogP ≤ 5	41.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine?

The IUPAC name of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine (CID 158309609) is 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine.

What is the SMILES notation for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine?

The canonical SMILES for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine is CC(C)(C)C1CCOCC1.CC(C)(C)C1CCOc2ccc(F)cc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)CC1CCCO1.CC(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1cccc2c1OCCCO2.CC(C)(C)Cc1cccc2c1OCCO2.CN1CCCCC1CC(C)(C)C.Cc1cc(CC(C)(C)C)n(C)n1.Cn1cncc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.

What is the InChIKey of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine?

The InChIKey is GNNCKFYSZVMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C15H29NO2.C14H20O2.C13H17FO.C13H18O2.C12H16O2.C12H16O.C11H23N.C10H18N2.C10H21N.C10H20O.C9H16N2.2C9H18O/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-14(2,3)11-12-7-9-16(10-8-12)13(17)18-15(4,5)6;1-14(2,3)10-11-6-4-7-12-13(11)16-9-5-8-15-12;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)9-10-5-4-6-11-12(10)15-8-7-14-11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-10-7-5-6-8-12(10)4;1-8-6-9(12(5)11-8)7-10(2,3)4;2*1-10(2,3)8-9-4-6-11-7-5-9;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)7-8-5-4-6-10-8/h5-10H,11H2,1-4H3;12H,7-11H2,1-6H3;4,6-7H,5,8-10H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-6H,7-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-7,10H,8H2,1-3H3;10H,5-9H2,1-4H3;6H,7H2,1-5H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;6-7H,5H2,1-4H3;2*8H,4-7H2,1-3H3.

What are the key properties of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine?

3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine has a molecular weight of 2570.99 g/mol, XLogP of 41.74, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 158309609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).