(2R)-2-bromooxane

C5H9BrO — CID 102076393

IUPAC(2R)-2-bromooxane
SMILESBr[C@@H]1CCCCO1
InChIInChI=1S/C5H9BrO/c6-5-3-1-2-4-7-5/h5H,1-4H2/t5-/m0/s1
InChIKeyWSVBQUZNVUWORE-YFKPBYRVSA-N
MW165.03 g/mol
LogP1.91
Rot. Bonds

About (2R)-2-bromooxane

(2R)-2-bromooxane (PubChem CID 102076393) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is (2R)-2-bromooxane.

Molecular Properties

Compound Name(2R)-2-bromooxane
PubChem CID102076393
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name(2R)-2-bromooxane
SMILESBr[C@@H]1CCCCO1
InChIInChI=1S/C5H9BrO/c6-5-3-1-2-4-7-5/h5H,1-4H2/t5-/m0/s1
InChIKeyWSVBQUZNVUWORE-YFKPBYRVSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.91
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 (2R)-2-bromooxane?
The IUPAC name of (2R)-2-bromooxane (CID 102076393) is (2R)-2-bromooxane.
What is the SMILES notation for (2R)-2-bromooxane?
The canonical SMILES for (2R)-2-bromooxane is Br[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-bromooxane?
The InChIKey is WSVBQUZNVUWORE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9BrO/c6-5-3-1-2-4-7-5/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (2R)-2-bromooxane?
(2R)-2-bromooxane has a molecular weight of 165.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromooxane is sourced from PubChem (CID 102076393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).