1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane

C94H202F3N3O18S — CID 160876162

About 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane

1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane (PubChem CID 160876162) has the molecular formula C94H202F3N3O18S and a molecular weight of 1751.71 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane.

Molecular Properties

• Compound Name: 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane
• PubChem CID: 160876162
• Molecular Formula: C94H202F3N3O18S
• Molecular Weight: 1751.71 g/mol
• Exact Mass: 1750.47
• IUPAC Name: 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane
• SMILES: C=S(C)(=O)CC(C)(C)C.CC(=O)COC(C)(C)C.CC(C)(C)N1CCCCC1.CC(C)(C)OCCCF.CC(C)OCCOC(C)(C)C.CC(F)(F)COCCOC(C)(C)C.CCCOC(C)(C)C.CCOCCOC(C)(C)C.COCC(C)(C)C.COCCOCCOC(C)(C)C.COCOCCOC(C)(C)C.Cc1ccn(C(C)(C)C)n1
• InChI: InChI=1S/C9H18F2O2.C9H19N.C9H20O3.C9H20O2.C8H14N2.C8H18O3.C8H18O2.C7H15FO.C7H14O2.C7H16OS.C7H16O.C6H14O/c1-8(2,3)13-6-5-12-7-9(4,10)11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)12-8-7-11-6-5-10-4;1-8(2)10-6-7-11-9(3,4)5;1-7-5-6-10(9-7)8(2,3)4;1-8(2,3)11-6-5-10-7-9-4;1-5-9-6-7-10-8(2,3)4;1-7(2,3)9-6-4-5-8;1-6(8)5-9-7(2,3)4;1-7(2,3)6-9(4,5)8;1-5-6-8-7(2,3)4;1-6(2,3)5-7-4/h5-7H2,1-4H3;4-8H2,1-3H3;5-8H2,1-4H3;8H,6-7H2,1-5H3;5-6H,1-4H3;5-7H2,1-4H3;5-7H2,1-4H3;4-6H2,1-3H3;5H2,1-4H3;4,6H2,1-3,5H3;5-6H2,1-4H3;5H2,1-4H3
• InChIKey: SMKNGWWNXRFIPD-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 202.88 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.71
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane?

The IUPAC name of 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane (CID 160876162) is 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane.

What is the SMILES notation for 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane?

The canonical SMILES for 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane is C=S(C)(=O)CC(C)(C)C.CC(=O)COC(C)(C)C.CC(C)(C)N1CCCCC1.CC(C)(C)OCCCF.CC(C)OCCOC(C)(C)C.CC(F)(F)COCCOC(C)(C)C.CCCOC(C)(C)C.CCOCCOC(C)(C)C.COCC(C)(C)C.COCCOCCOC(C)(C)C.COCOCCOC(C)(C)C.Cc1ccn(C(C)(C)C)n1.

What is the InChIKey of 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane?

The InChIKey is SMKNGWWNXRFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2.C9H19N.C9H20O3.C9H20O2.C8H14N2.C8H18O3.C8H18O2.C7H15FO.C7H14O2.C7H16OS.C7H16O.C6H14O/c1-8(2,3)13-6-5-12-7-9(4,10)11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)12-8-7-11-6-5-10-4;1-8(2)10-6-7-11-9(3,4)5;1-7-5-6-10(9-7)8(2,3)4;1-8(2,3)11-6-5-10-7-9-4;1-5-9-6-7-10-8(2,3)4;1-7(2,3)9-6-4-5-8;1-6(8)5-9-7(2,3)4;1-7(2,3)6-9(4,5)8;1-5-6-8-7(2,3)4;1-6(2,3)5-7-4/h5-7H2,1-4H3;4-8H2,1-3H3;5-8H2,1-4H3;8H,6-7H2,1-5H3;5-6H,1-4H3;5-7H2,1-4H3;5-7H2,1-4H3;4-6H2,1-3H3;5H2,1-4H3;4,6H2,1-3,5H3;5-6H2,1-4H3;5H2,1-4H3.

What are the key properties of 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane?

1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane has a molecular weight of 1751.71 g/mol, XLogP of 22.46, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-methylpyrazole;1-tert-butylpiperidine;2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane;2,2-dimethylpropyl-methyl-methylidene-oxo-λ6-sulfane;2-(2-ethoxyethoxy)-2-methylpropane;2-(3-fluoropropoxy)-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane;2-[2-(methoxymethoxy)ethoxy]-2-methylpropane;2-methyl-2-(2-propan-2-yloxyethoxy)propane;1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-methyl-2-propoxypropane is sourced from PubChem (CID 160876162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).