2-(bromomethyl)-4,4-dimethyloxolane

C7H13BrO — CID 10442584

IUPAC2-(bromomethyl)-4,4-dimethyloxolane
SMILESCC1(C)COC(CBr)C1
InChIInChI=1S/C7H13BrO/c1-7(2)3-6(4-8)9-5-7/h6H,3-5H2,1-2H3
InChIKeyKFSUONHJRUOOLF-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.20
Rot. Bonds1

About 2-(bromomethyl)-4,4-dimethyloxolane

2-(bromomethyl)-4,4-dimethyloxolane (PubChem CID 10442584) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(bromomethyl)-4,4-dimethyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-4,4-dimethyloxolane
PubChem CID10442584
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name2-(bromomethyl)-4,4-dimethyloxolane
SMILESCC1(C)COC(CBr)C1
InChIInChI=1S/C7H13BrO/c1-7(2)3-6(4-8)9-5-7/h6H,3-5H2,1-2H3
InChIKeyKFSUONHJRUOOLF-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 2-(bromomethyl)-4,4-dimethyloxolane?
The IUPAC name of 2-(bromomethyl)-4,4-dimethyloxolane (CID 10442584) is 2-(bromomethyl)-4,4-dimethyloxolane.
What is the SMILES notation for 2-(bromomethyl)-4,4-dimethyloxolane?
The canonical SMILES for 2-(bromomethyl)-4,4-dimethyloxolane is CC1(C)COC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4,4-dimethyloxolane?
The InChIKey is KFSUONHJRUOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-7(2)3-6(4-8)9-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4,4-dimethyloxolane?
2-(bromomethyl)-4,4-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 2-(bromomethyl)-4,4-dimethyloxolane is sourced from PubChem (CID 10442584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).