2-(bromomethyl)-4-cyclohexyloxolane

C11H19BrO — CID 19864362

IUPAC2-(bromomethyl)-4-cyclohexyloxolane
SMILESBrCC1CC(C2CCCCC2)CO1
InChIInChI=1S/C11H19BrO/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyCFODFRATBQIIQM-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.37
Rot. Bonds2

About 2-(bromomethyl)-4-cyclohexyloxolane

2-(bromomethyl)-4-cyclohexyloxolane (PubChem CID 19864362) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4-cyclohexyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-4-cyclohexyloxolane
PubChem CID19864362
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name2-(bromomethyl)-4-cyclohexyloxolane
SMILESBrCC1CC(C2CCCCC2)CO1
InChIInChI=1S/C11H19BrO/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyCFODFRATBQIIQM-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.37
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-cyclohexyloxolane?
The IUPAC name of 2-(bromomethyl)-4-cyclohexyloxolane (CID 19864362) is 2-(bromomethyl)-4-cyclohexyloxolane.
What is the SMILES notation for 2-(bromomethyl)-4-cyclohexyloxolane?
The canonical SMILES for 2-(bromomethyl)-4-cyclohexyloxolane is BrCC1CC(C2CCCCC2)CO1.
What is the InChIKey of 2-(bromomethyl)-4-cyclohexyloxolane?
The InChIKey is CFODFRATBQIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h9-11H,1-8H2.
What are the key properties of 2-(bromomethyl)-4-cyclohexyloxolane?
2-(bromomethyl)-4-cyclohexyloxolane has a molecular weight of 247.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-cyclohexyloxolane is sourced from PubChem (CID 19864362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).