1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)

C134H205N5O4S — CID 159720734

About 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)

1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane) (PubChem CID 159720734) has the molecular formula C134H205N5O4S and a molecular weight of 1982.21 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane).

Molecular Properties

• Compound Name: 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)
• PubChem CID: 159720734
• Molecular Formula: C134H205N5O4S
• Molecular Weight: 1982.21 g/mol
• Exact Mass: 1980.57
• IUPAC Name: 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1cc2ccncc2[nH]c1=O.CC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)O2.CC(C)(C)c1ccc2c(c1)OC(C(C)(C)C)O2.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2nc(C(C)(C)C)sc2c1
• InChI: InChI=1S/C16H24O.C15H21NS.C15H22O2.C13H16.C13H18.C13H16.C12H14N2O.C12H14N2.5C5H12/c1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;2*1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)9-6-8-4-5-13-7-10(8)14-11(9)15;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;5*1-5(2,3)4/h7-9,14H,10H2,1-6H3;7-9H,1-6H3;7-9,13H,1-6H3;4-8H,9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H,14,15);4-8H,1-3H3;5*1-4H3
• InChIKey: MZZQUBYLEXOCJQ-UHFFFAOYSA-N
• XLogP: 39.87
• TPSA: 112.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1982.21
LogP ≤ 5	39.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)?

The IUPAC name of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane) (CID 159720734) is 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane).

What is the SMILES notation for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)?

The canonical SMILES for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1cc2ccncc2[nH]c1=O.CC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)O2.CC(C)(C)c1ccc2c(c1)OC(C(C)(C)C)O2.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2nc(C(C)(C)C)sc2c1.

What is the InChIKey of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)?

The InChIKey is MZZQUBYLEXOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C15H21NS.C15H22O2.C13H16.C13H18.C13H16.C12H14N2O.C12H14N2.5C5H12/c1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;2*1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)9-6-8-4-5-13-7-10(8)14-11(9)15;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;5*1-5(2,3)4/h7-9,14H,10H2,1-6H3;7-9H,1-6H3;7-9,13H,1-6H3;4-8H,9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H,14,15);4-8H,1-3H3;5*1-4H3.

What are the key properties of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)?

1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane) has a molecular weight of 1982.21 g/mol, XLogP of 39.87, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane) is sourced from PubChem (CID 159720734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).