3-bromo-2-cyclopentyloxane

C10H17BrO — CID 173272885

IUPAC3-bromo-2-cyclopentyloxane
SMILESBrC1CCCOC1C1CCCC1
InChIInChI=1S/C10H17BrO/c11-9-6-3-7-12-10(9)8-4-1-2-5-8/h8-10H,1-7H2
InChIKeyNUYSNQOHZALYDF-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.12
Rot. Bonds1

About 3-bromo-2-cyclopentyloxane

3-bromo-2-cyclopentyloxane (PubChem CID 173272885) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-bromo-2-cyclopentyloxane.

Molecular Properties

Compound Name3-bromo-2-cyclopentyloxane
PubChem CID173272885
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name3-bromo-2-cyclopentyloxane
SMILESBrC1CCCOC1C1CCCC1
InChIInChI=1S/C10H17BrO/c11-9-6-3-7-12-10(9)8-4-1-2-5-8/h8-10H,1-7H2
InChIKeyNUYSNQOHZALYDF-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.12
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 3-bromo-2-cyclopentyloxane?
The IUPAC name of 3-bromo-2-cyclopentyloxane (CID 173272885) is 3-bromo-2-cyclopentyloxane.
What is the SMILES notation for 3-bromo-2-cyclopentyloxane?
The canonical SMILES for 3-bromo-2-cyclopentyloxane is BrC1CCCOC1C1CCCC1.
What is the InChIKey of 3-bromo-2-cyclopentyloxane?
The InChIKey is NUYSNQOHZALYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c11-9-6-3-7-12-10(9)8-4-1-2-5-8/h8-10H,1-7H2.
What are the key properties of 3-bromo-2-cyclopentyloxane?
3-bromo-2-cyclopentyloxane has a molecular weight of 233.15 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopentyloxane is sourced from PubChem (CID 173272885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).