4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole

C119H180N4O4 — CID 160896396

About 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole

4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole (PubChem CID 160896396) has the molecular formula C119H180N4O4 and a molecular weight of 1730.77 g/mol. Its IUPAC name is 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole.

Molecular Properties

• Compound Name: 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole
• PubChem CID: 160896396
• Molecular Formula: C119H180N4O4
• Molecular Weight: 1730.77 g/mol
• Exact Mass: 1729.40
• IUPAC Name: 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole
• SMILES: C=CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)CN1CCc2c(cccc2C(C)(C)C)C1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1ccccc1C(C)(C)CCO.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1(C)Oc2cccc(C(C)(C)C)c2O1.CCN1Cc2cccc(C(C)(C)C)c2C1C(C)(C)C
• InChI: InChI=1S/2C18H29N.C15H24O.C15H22.C14H20O.2C13H19N.C13H18O2/c1-17(2,3)13-19-11-10-15-14(12-19)8-7-9-16(15)18(4,5)6;1-8-19-12-13-10-9-11-14(17(2,3)4)15(13)16(19)18(5,6)7;1-14(2,3)12-8-6-7-9-13(12)15(4,5)10-11-16;1-7-15(5,6)13-11-9-8-10-12(13)14(2,3)4;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)9-7-6-8-10-11(9)15-13(4,5)14-10/h7-9H,10-13H2,1-6H3;9-11,16H,8,12H2,1-7H3;6-9,16H,10-11H2,1-5H3;7-11H,1H2,2-6H3;6-8H,9H2,1-5H3;4,7-8,14H,5-6,9H2,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;6-8H,1-5H3
• InChIKey: SOXUOIFEUSTROY-UHFFFAOYSA-N
• XLogP: 31.26
• TPSA: 78.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1730.77
LogP ≤ 5	31.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole?

The IUPAC name of 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole (CID 160896396) is 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole.

What is the SMILES notation for 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole?

The canonical SMILES for 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole is C=CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)CN1CCc2c(cccc2C(C)(C)C)C1.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1ccccc1C(C)(C)CCO.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1(C)Oc2cccc(C(C)(C)C)c2O1.CCN1Cc2cccc(C(C)(C)C)c2C1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole?

The InChIKey is SOXUOIFEUSTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H29N.C15H24O.C15H22.C14H20O.2C13H19N.C13H18O2/c1-17(2,3)13-19-11-10-15-14(12-19)8-7-9-16(15)18(4,5)6;1-8-19-12-13-10-9-11-14(17(2,3)4)15(13)16(19)18(5,6)7;1-14(2,3)12-8-6-7-9-13(12)15(4,5)10-11-16;1-7-15(5,6)13-11-9-8-10-12(13)14(2,3)4;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)9-7-6-8-10-11(9)15-13(4,5)14-10/h7-9H,10-13H2,1-6H3;9-11,16H,8,12H2,1-7H3;6-9,16H,10-11H2,1-5H3;7-11H,1H2,2-6H3;6-8H,9H2,1-5H3;4,7-8,14H,5-6,9H2,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;6-8H,1-5H3.

What are the key properties of 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole?

4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole has a molecular weight of 1730.77 g/mol, XLogP of 31.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2,2-dimethyl-1,3-benzodioxole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2-(2,2-dimethylpropyl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-(2-methylbut-3-en-2-yl)benzene;3-(2-tert-butylphenyl)-3-methylbutan-1-ol;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;1,7-ditert-butyl-2-ethyl-1,3-dihydroisoindole is sourced from PubChem (CID 160896396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).