3-(3-bromocyclobutyl)oxyoxolane

C8H13BrO2 — CID 66344761

IUPAC3-(3-bromocyclobutyl)oxyoxolane
SMILESBrC1CC(OC2CCOC2)C1
InChIInChI=1S/C8H13BrO2/c9-6-3-8(4-6)11-7-1-2-10-5-7/h6-8H,1-5H2
InChIKeyZKFPYQDSMDLYQH-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.72
Rot. Bonds2

About 3-(3-bromocyclobutyl)oxyoxolane

3-(3-bromocyclobutyl)oxyoxolane (PubChem CID 66344761) has the molecular formula C8H13BrO2 and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-(3-bromocyclobutyl)oxyoxolane.

Molecular Properties

Compound Name3-(3-bromocyclobutyl)oxyoxolane
PubChem CID66344761
Molecular FormulaC8H13BrO2
Molecular Weight221.09 g/mol
Exact Mass220.01
IUPAC Name3-(3-bromocyclobutyl)oxyoxolane
SMILESBrC1CC(OC2CCOC2)C1
InChIInChI=1S/C8H13BrO2/c9-6-3-8(4-6)11-7-1-2-10-5-7/h6-8H,1-5H2
InChIKeyZKFPYQDSMDLYQH-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-bromocyclobutyl)oxyoxolane?
The IUPAC name of 3-(3-bromocyclobutyl)oxyoxolane (CID 66344761) is 3-(3-bromocyclobutyl)oxyoxolane.
What is the SMILES notation for 3-(3-bromocyclobutyl)oxyoxolane?
The canonical SMILES for 3-(3-bromocyclobutyl)oxyoxolane is BrC1CC(OC2CCOC2)C1.
What is the InChIKey of 3-(3-bromocyclobutyl)oxyoxolane?
The InChIKey is ZKFPYQDSMDLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO2/c9-6-3-8(4-6)11-7-1-2-10-5-7/h6-8H,1-5H2.
What are the key properties of 3-(3-bromocyclobutyl)oxyoxolane?
3-(3-bromocyclobutyl)oxyoxolane has a molecular weight of 221.09 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocyclobutyl)oxyoxolane is sourced from PubChem (CID 66344761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).