(2R,5R)-2-(bromomethyl)-5-methyloxolane

C6H11BrO — CID 146155289

IUPAC(2R,5R)-2-(bromomethyl)-5-methyloxolane
SMILESC[C@@H]1CC[C@H](CBr)O1
InChIInChI=1S/C6H11BrO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyPIUMSFMCVMXGKX-PHDIDXHHSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds1

About (2R,5R)-2-(bromomethyl)-5-methyloxolane

(2R,5R)-2-(bromomethyl)-5-methyloxolane (PubChem CID 146155289) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is (2R,5R)-2-(bromomethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2R,5R)-2-(bromomethyl)-5-methyloxolane
PubChem CID146155289
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name(2R,5R)-2-(bromomethyl)-5-methyloxolane
SMILESC[C@@H]1CC[C@H](CBr)O1
InChIInChI=1S/C6H11BrO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyPIUMSFMCVMXGKX-PHDIDXHHSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.95
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 (2R,5R)-2-(bromomethyl)-5-methyloxolane?
The IUPAC name of (2R,5R)-2-(bromomethyl)-5-methyloxolane (CID 146155289) is (2R,5R)-2-(bromomethyl)-5-methyloxolane.
What is the SMILES notation for (2R,5R)-2-(bromomethyl)-5-methyloxolane?
The canonical SMILES for (2R,5R)-2-(bromomethyl)-5-methyloxolane is C[C@@H]1CC[C@H](CBr)O1.
What is the InChIKey of (2R,5R)-2-(bromomethyl)-5-methyloxolane?
The InChIKey is PIUMSFMCVMXGKX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11BrO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,5R)-2-(bromomethyl)-5-methyloxolane?
(2R,5R)-2-(bromomethyl)-5-methyloxolane has a molecular weight of 179.06 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(bromomethyl)-5-methyloxolane is sourced from PubChem (CID 146155289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).