3-(bromomethyl)-3-(2-methylbutyl)oxetane

C₉H₁₇BrO — CID 156564010

About 3-(bromomethyl)-3-(2-methylbutyl)oxetane

3-(bromomethyl)-3-(2-methylbutyl)oxetane (PubChem CID 156564010) has the molecular formula C₉H₁₇BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(2-methylbutyl)oxetane.

Molecular Properties

• Compound Name: 3-(bromomethyl)-3-(2-methylbutyl)oxetane
• PubChem CID: 156564010
• Molecular Formula: C₉H₁₇BrO
• Molecular Weight: 221.14 g/mol
• Exact Mass: 220.05
• IUPAC Name: 3-(bromomethyl)-3-(2-methylbutyl)oxetane
• SMILES: CCC(C)CC1(CBr)COC1
• InChI: InChI=1S/C9H17BrO/c1-3-8(2)4-9(5-10)6-11-7-9/h8H,3-7H2,1-2H3
• InChIKey: BDVUZYQPSTVZDT-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.14
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(2-methylbutyl)oxetane?

The IUPAC name of 3-(bromomethyl)-3-(2-methylbutyl)oxetane (CID 156564010) is 3-(bromomethyl)-3-(2-methylbutyl)oxetane.

What is the SMILES notation for 3-(bromomethyl)-3-(2-methylbutyl)oxetane?

The canonical SMILES for 3-(bromomethyl)-3-(2-methylbutyl)oxetane is CCC(C)CC1(CBr)COC1.

What is the InChIKey of 3-(bromomethyl)-3-(2-methylbutyl)oxetane?

The InChIKey is BDVUZYQPSTVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-3-8(2)4-9(5-10)6-11-7-9/h8H,3-7H2,1-2H3.

What are the key properties of 3-(bromomethyl)-3-(2-methylbutyl)oxetane?

3-(bromomethyl)-3-(2-methylbutyl)oxetane has a molecular weight of 221.14 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)-3-(2-methylbutyl)oxetane is sourced from PubChem (CID 156564010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156564010 — identifiers, structure, computed properties (public domain)

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