2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane

C85H170N16O6 — CID 162145631

About 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane

2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane (PubChem CID 162145631) has the molecular formula C85H170N16O6 and a molecular weight of 1512.40 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane
• PubChem CID: 162145631
• Molecular Formula: C85H170N16O6
• Molecular Weight: 1512.40 g/mol
• Exact Mass: 1511.35
• IUPAC Name: 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1OCCCO1.CC(C)(C)C1OCCO1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnn1
• InChI: InChI=1S/C8H13N.C8H16O2.3C7H12N2.2C7H11NO.C7H14O2.C6H11N3.C5H10N4.8C2H6/c1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4-6-7-8-9;8*1-2/h4-7H,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;2*4-5H,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3;4H,1-3H3;8*1-2H3
• InChIKey: ZKMYPDPZTIGOET-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 232.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.40
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane?

The IUPAC name of 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane (CID 162145631) is 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane.

What is the SMILES notation for 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane?

The canonical SMILES for 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1OCCCO1.CC(C)(C)C1OCCO1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnn1.

What is the InChIKey of 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane?

The InChIKey is ZKMYPDPZTIGOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H16O2.3C7H12N2.2C7H11NO.C7H14O2.C6H11N3.C5H10N4.8C2H6/c1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4-6-7-8-9;8*1-2/h4-7H,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;2*4-5H,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3;4H,1-3H3;8*1-2H3.

What are the key properties of 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane?

2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane has a molecular weight of 1512.40 g/mol, XLogP of 24.04, 0 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3-dioxane;2-tert-butyl-1,3-dioxolane;1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;1-tert-butyl-1,2,4-triazole;ethane is sourced from PubChem (CID 162145631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).