2-[2-(3-bromocyclopentyl)ethyl]oxolane

C11H19BrO — CID 65165146

IUPAC2-[2-(3-bromocyclopentyl)ethyl]oxolane
SMILESBrC1CCC(CCC2CCCO2)C1
InChIInChI=1S/C11H19BrO/c12-10-5-3-9(8-10)4-6-11-2-1-7-13-11/h9-11H,1-8H2
InChIKeySPQYIMRUDSACDJ-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.51
Rot. Bonds3

About 2-[2-(3-bromocyclopentyl)ethyl]oxolane

2-[2-(3-bromocyclopentyl)ethyl]oxolane (PubChem CID 65165146) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-[2-(3-bromocyclopentyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(3-bromocyclopentyl)ethyl]oxolane
PubChem CID65165146
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name2-[2-(3-bromocyclopentyl)ethyl]oxolane
SMILESBrC1CCC(CCC2CCCO2)C1
InChIInChI=1S/C11H19BrO/c12-10-5-3-9(8-10)4-6-11-2-1-7-13-11/h9-11H,1-8H2
InChIKeySPQYIMRUDSACDJ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.51
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-[2-(3-bromocyclopentyl)ethyl]oxolane?
The IUPAC name of 2-[2-(3-bromocyclopentyl)ethyl]oxolane (CID 65165146) is 2-[2-(3-bromocyclopentyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(3-bromocyclopentyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(3-bromocyclopentyl)ethyl]oxolane is BrC1CCC(CCC2CCCO2)C1.
What is the InChIKey of 2-[2-(3-bromocyclopentyl)ethyl]oxolane?
The InChIKey is SPQYIMRUDSACDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c12-10-5-3-9(8-10)4-6-11-2-1-7-13-11/h9-11H,1-8H2.
What are the key properties of 2-[2-(3-bromocyclopentyl)ethyl]oxolane?
2-[2-(3-bromocyclopentyl)ethyl]oxolane has a molecular weight of 247.18 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromocyclopentyl)ethyl]oxolane is sourced from PubChem (CID 65165146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).