3-bromo-2-(2-ethyloxolan-3-yl)oxolane

C10H17BrO2 — CID 15700616

IUPAC3-bromo-2-(2-ethyloxolan-3-yl)oxolane
SMILESCCC1OCCC1C1OCCC1Br
InChIInChI=1S/C10H17BrO2/c1-2-9-7(3-5-12-9)10-8(11)4-6-13-10/h7-10H,2-6H2,1H3
InChIKeyQDYAIGKVYXFZMC-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.35
Rot. Bonds2

About 3-bromo-2-(2-ethyloxolan-3-yl)oxolane

3-bromo-2-(2-ethyloxolan-3-yl)oxolane (PubChem CID 15700616) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 3-bromo-2-(2-ethyloxolan-3-yl)oxolane.

Molecular Properties

Compound Name3-bromo-2-(2-ethyloxolan-3-yl)oxolane
PubChem CID15700616
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name3-bromo-2-(2-ethyloxolan-3-yl)oxolane
SMILESCCC1OCCC1C1OCCC1Br
InChIInChI=1S/C10H17BrO2/c1-2-9-7(3-5-12-9)10-8(11)4-6-13-10/h7-10H,2-6H2,1H3
InChIKeyQDYAIGKVYXFZMC-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.35
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-bromo-2-(2-ethyloxolan-3-yl)oxolane?
The IUPAC name of 3-bromo-2-(2-ethyloxolan-3-yl)oxolane (CID 15700616) is 3-bromo-2-(2-ethyloxolan-3-yl)oxolane.
What is the SMILES notation for 3-bromo-2-(2-ethyloxolan-3-yl)oxolane?
The canonical SMILES for 3-bromo-2-(2-ethyloxolan-3-yl)oxolane is CCC1OCCC1C1OCCC1Br.
What is the InChIKey of 3-bromo-2-(2-ethyloxolan-3-yl)oxolane?
The InChIKey is QDYAIGKVYXFZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-2-9-7(3-5-12-9)10-8(11)4-6-13-10/h7-10H,2-6H2,1H3.
What are the key properties of 3-bromo-2-(2-ethyloxolan-3-yl)oxolane?
3-bromo-2-(2-ethyloxolan-3-yl)oxolane has a molecular weight of 249.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-ethyloxolan-3-yl)oxolane is sourced from PubChem (CID 15700616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).