3-bromo-2,2-dimethyloxolane

C6H11BrO — CID 13487498

IUPAC3-bromo-2,2-dimethyloxolane
SMILESCC1(C)OCCC1Br
InChIInChI=1S/C6H11BrO/c1-6(2)5(7)3-4-8-6/h5H,3-4H2,1-2H3
InChIKeyFLNFDYFUERWESL-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds

About 3-bromo-2,2-dimethyloxolane

3-bromo-2,2-dimethyloxolane (PubChem CID 13487498) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 3-bromo-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-bromo-2,2-dimethyloxolane
PubChem CID13487498
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name3-bromo-2,2-dimethyloxolane
SMILESCC1(C)OCCC1Br
InChIInChI=1S/C6H11BrO/c1-6(2)5(7)3-4-8-6/h5H,3-4H2,1-2H3
InChIKeyFLNFDYFUERWESL-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 3-bromo-2,2-dimethyloxolane 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-methyloxolane
CID 13042890
2-(Bromomethyl)-2,5,5-trimethyloxolane
CID 130583089
2-(Bromomethyl)-4-methyloxolane
CID 131408683
4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
4-Bromo-1-methyl-2-oxabicyclo(2.1.1)hexane
CID 155821939
5-Bromo-2,2-dimethyloxolane
CID 20347171
4-Bromo-2,2-dimethyloxolane
CID 20579122
4-Bromo-2,2-diethyloxolane
CID 22958852

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2-dimethyloxolane?
The IUPAC name of 3-bromo-2,2-dimethyloxolane (CID 13487498) is 3-bromo-2,2-dimethyloxolane.
What is the SMILES notation for 3-bromo-2,2-dimethyloxolane?
The canonical SMILES for 3-bromo-2,2-dimethyloxolane is CC1(C)OCCC1Br.
What is the InChIKey of 3-bromo-2,2-dimethyloxolane?
The InChIKey is FLNFDYFUERWESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-6(2)5(7)3-4-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2,2-dimethyloxolane?
3-bromo-2,2-dimethyloxolane has a molecular weight of 179.06 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2-dimethyloxolane is sourced from PubChem (CID 13487498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).