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

C11H19BrO3 — CID 165492983

IUPAC3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane
SMILESBrC1CCCC1OCCOC1CCOC1
InChIInChI=1S/C11H19BrO3/c12-10-2-1-3-11(10)15-7-6-14-9-4-5-13-8-9/h9-11H,1-8H2
InChIKeyKXLMUQYHAZHQMP-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.12
Rot. Bonds5

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

3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane (PubChem CID 165492983) has the molecular formula C11H19BrO3 and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane.

Molecular Properties

Compound Name3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane
PubChem CID165492983
Molecular FormulaC11H19BrO3
Molecular Weight279.17 g/mol
Exact Mass278.05
IUPAC Name3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane
SMILESBrC1CCCC1OCCOC1CCOC1
InChIInChI=1S/C11H19BrO3/c12-10-2-1-3-11(10)15-7-6-14-9-4-5-13-8-9/h9-11H,1-8H2
InChIKeyKXLMUQYHAZHQMP-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane 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

(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
3-propoxyoxolane
CID 14071397
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
CID 165492982
3-[2-(4-bromophenoxy)ethoxy]oxolane
CID 63559292
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
ethane;3-ethoxyoxolane
CID 142523367
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148
3-[2-(oxolan-3-yloxy)ethyl]azetidine
CID 107391728
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane?
The IUPAC name of 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane (CID 165492983) is 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane.
What is the SMILES notation for 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane?
The canonical SMILES for 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane is BrC1CCCC1OCCOC1CCOC1.
What is the InChIKey of 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane?
The InChIKey is KXLMUQYHAZHQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO3/c12-10-2-1-3-11(10)15-7-6-14-9-4-5-13-8-9/h9-11H,1-8H2.
What are the key properties of 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane?
3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane has a molecular weight of 279.17 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromocyclopentyl)oxyethoxy]oxolane is sourced from PubChem (CID 165492983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).