3-(bromomethyl)-2,3-dimethyloxolane

C7H13BrO — CID 114536016

IUPAC3-(bromomethyl)-2,3-dimethyloxolane
SMILESCC1OCCC1(C)CBr
InChIInChI=1S/C7H13BrO/c1-6-7(2,5-8)3-4-9-6/h6H,3-5H2,1-2H3
InChIKeyUMUNUJWRNZWEDY-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.20
Rot. Bonds1

About 3-(bromomethyl)-2,3-dimethyloxolane

3-(bromomethyl)-2,3-dimethyloxolane (PubChem CID 114536016) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 3-(bromomethyl)-2,3-dimethyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2,3-dimethyloxolane
PubChem CID114536016
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name3-(bromomethyl)-2,3-dimethyloxolane
SMILESCC1OCCC1(C)CBr
InChIInChI=1S/C7H13BrO/c1-6-7(2,5-8)3-4-9-6/h6H,3-5H2,1-2H3
InChIKeyUMUNUJWRNZWEDY-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-2,3-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

3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
CID 126974799
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
ethane;2,3,3-trimethyloxane
CID 142059544
3-(bromomethyl)-2-methyl-3-[(5-methyloxolan-2-yl)methyl]oxolane
CID 103142753
3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane
CID 114535881
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
N-(2,3-dimethyloxolan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 103581353
(2R,3R)-N-[(3,3-difluorocyclobutyl)methyl]-2,3-dimethyloxolan-3-amine
CID 129348543
3,3-difluoro-2-methyloxane
CID 146204349

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2,3-dimethyloxolane?
The IUPAC name of 3-(bromomethyl)-2,3-dimethyloxolane (CID 114536016) is 3-(bromomethyl)-2,3-dimethyloxolane.
What is the SMILES notation for 3-(bromomethyl)-2,3-dimethyloxolane?
The canonical SMILES for 3-(bromomethyl)-2,3-dimethyloxolane is CC1OCCC1(C)CBr.
What is the InChIKey of 3-(bromomethyl)-2,3-dimethyloxolane?
The InChIKey is UMUNUJWRNZWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-6-7(2,5-8)3-4-9-6/h6H,3-5H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2,3-dimethyloxolane?
3-(bromomethyl)-2,3-dimethyloxolane has a molecular weight of 193.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,3-dimethyloxolane is sourced from PubChem (CID 114536016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).