2-(bromomethyl)-2-methyloxolane

C6H11BrO — CID 13042890

IUPAC2-(bromomethyl)-2-methyloxolane
SMILESCC1(CBr)CCCO1
InChIInChI=1S/C6H11BrO/c1-6(5-7)3-2-4-8-6/h2-5H2,1H3
InChIKeyFCRGNIOWVNCUGM-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds1

About 2-(bromomethyl)-2-methyloxolane

2-(bromomethyl)-2-methyloxolane (PubChem CID 13042890) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 2-(bromomethyl)-2-methyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-methyloxolane
PubChem CID13042890
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name2-(bromomethyl)-2-methyloxolane
SMILESCC1(CBr)CCCO1
InChIInChI=1S/C6H11BrO/c1-6(5-7)3-2-4-8-6/h2-5H2,1H3
InChIKeyFCRGNIOWVNCUGM-UHFFFAOYSA-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'}

Analyze 2-(bromomethyl)-2-methyloxolane with MolForge

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

Launch Full Analysis

Related Compounds

5-(Bromomethyl)-2,2-dimethyloxolane
CID 67034646
2-(Bromomethyl)-4,4-dimethyloxolane
CID 10442584
4-(Bromomethyl)-2-methyloxolane
CID 114826152
4-(Bromomethyl)-2,2-dimethyloxolane
CID 117760225
2-(Bromomethyl)-2,5,5-trimethyloxolane
CID 130583089
2-(Bromomethyl)-4-methyloxolane
CID 131408683
4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
rac-(2R,3S)-2-(bromomethyl)-3-methyloxolane
CID 137952133
2-(Bromomethyl)-3-methyloxolane
CID 81577393
2-Bromo-5-(bromomethyl)-3,3-dimethyloxolane
CID 10355860
3-Bromo-2,2-dimethyloxolane
CID 13487498
5-Bromo-2,2-dimethyloxolane
CID 20347171

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-methyloxolane?
The IUPAC name of 2-(bromomethyl)-2-methyloxolane (CID 13042890) is 2-(bromomethyl)-2-methyloxolane.
What is the SMILES notation for 2-(bromomethyl)-2-methyloxolane?
The canonical SMILES for 2-(bromomethyl)-2-methyloxolane is CC1(CBr)CCCO1.
What is the InChIKey of 2-(bromomethyl)-2-methyloxolane?
The InChIKey is FCRGNIOWVNCUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-6(5-7)3-2-4-8-6/h2-5H2,1H3.
What are the key properties of 2-(bromomethyl)-2-methyloxolane?
2-(bromomethyl)-2-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 2-(bromomethyl)-2-methyloxolane is sourced from PubChem (CID 13042890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).