sodium;2-(bromomethyl)oxetane;hydride

C4H8BrNaO — CID 174929759

IUPACsodium;2-(bromomethyl)oxetane;hydride
SMILESBrCC1CCO1.[H-].[Na+]
InChIInChI=1S/C4H7BrO.Na.H/c5-3-4-1-2-6-4;;/h4H,1-3H2;;/q;+1;-1
InChIKeyCKMMXEMPEBHGJY-UHFFFAOYSA-N
MW175.00 g/mol
LogP-1.71
Rot. Bonds1

About sodium;2-(bromomethyl)oxetane;hydride

sodium;2-(bromomethyl)oxetane;hydride (PubChem CID 174929759) has the molecular formula C4H8BrNaO and a molecular weight of 175.00 g/mol. Its IUPAC name is sodium;2-(bromomethyl)oxetane;hydride.

Molecular Properties

Compound Namesodium;2-(bromomethyl)oxetane;hydride
PubChem CID174929759
Molecular FormulaC4H8BrNaO
Molecular Weight175.00 g/mol
Exact Mass173.97
IUPAC Namesodium;2-(bromomethyl)oxetane;hydride
SMILESBrCC1CCO1.[H-].[Na+]
InChIInChI=1S/C4H7BrO.Na.H/c5-3-4-1-2-6-4;;/h4H,1-3H2;;/q;+1;-1
InChIKeyCKMMXEMPEBHGJY-UHFFFAOYSA-N
XLogP-1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.00
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(bromomethyl)oxetane;hydride?
The IUPAC name of sodium;2-(bromomethyl)oxetane;hydride (CID 174929759) is sodium;2-(bromomethyl)oxetane;hydride.
What is the SMILES notation for sodium;2-(bromomethyl)oxetane;hydride?
The canonical SMILES for sodium;2-(bromomethyl)oxetane;hydride is BrCC1CCO1.[H-].[Na+].
What is the InChIKey of sodium;2-(bromomethyl)oxetane;hydride?
The InChIKey is CKMMXEMPEBHGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO.Na.H/c5-3-4-1-2-6-4;;/h4H,1-3H2;;/q;+1;-1.
What are the key properties of sodium;2-(bromomethyl)oxetane;hydride?
sodium;2-(bromomethyl)oxetane;hydride has a molecular weight of 175.00 g/mol, XLogP of -1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(bromomethyl)oxetane;hydride is sourced from PubChem (CID 174929759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).