ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole

C64H146N8O5 — CID 161479945

About ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole

ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole (PubChem CID 161479945) has the molecular formula C64H146N8O5 and a molecular weight of 1107.92 g/mol. Its IUPAC name is ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 161479945
• Molecular Formula: C64H146N8O5
• Molecular Weight: 1107.92 g/mol
• Exact Mass: 1107.14
• IUPAC Name: ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCC1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCO1.CC(C)C1CNOC1.CC(C)C1OCCO1.CC(C)N1C=NNC1.CC(C)n1cnnc1
• InChI: InChI=1S/C7H14O.C7H14.C6H13NO.C6H13N.C6H12O2.C6H12O.C5H11N3.C5H9N3.8C2H6/c1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-6;2*1-5(2)8-3-6-7-4-8;8*1-2/h6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3,5,7H,4H2,1-2H3;3-5H,1-2H3;8*1-2H3
• InChIKey: WEFMRRWEXAQWTF-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 128.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.92
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole (CID 161479945) is ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCC1.CC(C)C1CCCO1.CC(C)C1CCN1.CC(C)C1CCO1.CC(C)C1CNOC1.CC(C)C1OCCO1.CC(C)N1C=NNC1.CC(C)n1cnnc1.

What is the InChIKey of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole?

The InChIKey is WEFMRRWEXAQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C7H14.C6H13NO.C6H13N.C6H12O2.C6H12O.C5H11N3.C5H9N3.8C2H6/c1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-6;2*1-5(2)8-3-6-7-4-8;8*1-2/h6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3,5,7H,4H2,1-2H3;3-5H,1-2H3;8*1-2H3.

What are the key properties of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole?

ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole has a molecular weight of 1107.92 g/mol, XLogP of 17.78, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;4-propan-2-yl-1,5-dihydro-1,2,4-triazole;2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,2-oxazolidine;2-propan-2-yloxetane;2-propan-2-yloxolane;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 161479945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).