(2R,3S)-2-(bromomethyl)-3-methyloxolane

C6H11BrO — CID 155905802

IUPAC(2R,3S)-2-(bromomethyl)-3-methyloxolane
SMILESC[C@H]1CCO[C@H]1CBr
InChIInChI=1S/C6H11BrO/c1-5-2-3-8-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyUYAUKJPGWASXGX-WDSKDSINSA-N
MW179.06 g/mol
LogP1.81
Rot. Bonds1

About (2R,3S)-2-(bromomethyl)-3-methyloxolane

(2R,3S)-2-(bromomethyl)-3-methyloxolane (PubChem CID 155905802) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is (2R,3S)-2-(bromomethyl)-3-methyloxolane.

Molecular Properties

Compound Name(2R,3S)-2-(bromomethyl)-3-methyloxolane
PubChem CID155905802
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name(2R,3S)-2-(bromomethyl)-3-methyloxolane
SMILESC[C@H]1CCO[C@H]1CBr
InChIInChI=1S/C6H11BrO/c1-5-2-3-8-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyUYAUKJPGWASXGX-WDSKDSINSA-N
XLogP1.81
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 ≤ 51.81
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,3S)-2-(bromomethyl)-3-methyloxolane?
The IUPAC name of (2R,3S)-2-(bromomethyl)-3-methyloxolane (CID 155905802) is (2R,3S)-2-(bromomethyl)-3-methyloxolane.
What is the SMILES notation for (2R,3S)-2-(bromomethyl)-3-methyloxolane?
The canonical SMILES for (2R,3S)-2-(bromomethyl)-3-methyloxolane is C[C@H]1CCO[C@H]1CBr.
What is the InChIKey of (2R,3S)-2-(bromomethyl)-3-methyloxolane?
The InChIKey is UYAUKJPGWASXGX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11BrO/c1-5-2-3-8-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2R,3S)-2-(bromomethyl)-3-methyloxolane?
(2R,3S)-2-(bromomethyl)-3-methyloxolane has a molecular weight of 179.06 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(bromomethyl)-3-methyloxolane is sourced from PubChem (CID 155905802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).