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'}

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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).