(3S)-3-(bromomethyl)oxolane

C5H9BrO — CID 51669283

IUPAC(3S)-3-(bromomethyl)oxolane
SMILESBrC[C@H]1CCOC1
InChIInChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2/t5-/m1/s1
InChIKeyAXQYVOIYCYAVSW-RXMQYKEDSA-N
MW165.03 g/mol
LogP1.42
Rot. Bonds1

About (3S)-3-(bromomethyl)oxolane

(3S)-3-(bromomethyl)oxolane (PubChem CID 51669283) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is (3S)-3-(bromomethyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(bromomethyl)oxolane
PubChem CID51669283
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name(3S)-3-(bromomethyl)oxolane
SMILESBrC[C@H]1CCOC1
InChIInChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2/t5-/m1/s1
InChIKeyAXQYVOIYCYAVSW-RXMQYKEDSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-(bromomethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(bromomethyl)oxolane?
The IUPAC name of (3S)-3-(bromomethyl)oxolane (CID 51669283) is (3S)-3-(bromomethyl)oxolane.
What is the SMILES notation for (3S)-3-(bromomethyl)oxolane?
The canonical SMILES for (3S)-3-(bromomethyl)oxolane is BrC[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(bromomethyl)oxolane?
The InChIKey is AXQYVOIYCYAVSW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2/t5-/m1/s1.
What are the key properties of (3S)-3-(bromomethyl)oxolane?
(3S)-3-(bromomethyl)oxolane has a molecular weight of 165.03 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(bromomethyl)oxolane is sourced from PubChem (CID 51669283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).