(5S)-5-(bromomethyl)oxolan-2-ol

C5H9BrO2 — CID 14587484

IUPAC(5S)-5-(bromomethyl)oxolan-2-ol
SMILESOC1CC[C@@H](CBr)O1
InChIInChI=1S/C5H9BrO2/c6-3-4-1-2-5(7)8-4/h4-5,7H,1-3H2/t4-,5?/m0/s1
InChIKeyYCWGUHNTCUOMTQ-ROLXFIACSA-N
MW181.03 g/mol
LogP0.88
Rot. Bonds1

About (5S)-5-(bromomethyl)oxolan-2-ol

(5S)-5-(bromomethyl)oxolan-2-ol (PubChem CID 14587484) has the molecular formula C5H9BrO2 and a molecular weight of 181.03 g/mol. Its IUPAC name is (5S)-5-(bromomethyl)oxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-(bromomethyl)oxolan-2-ol
PubChem CID14587484
Molecular FormulaC5H9BrO2
Molecular Weight181.03 g/mol
Exact Mass179.98
IUPAC Name(5S)-5-(bromomethyl)oxolan-2-ol
SMILESOC1CC[C@@H](CBr)O1
InChIInChI=1S/C5H9BrO2/c6-3-4-1-2-5(7)8-4/h4-5,7H,1-3H2/t4-,5?/m0/s1
InChIKeyYCWGUHNTCUOMTQ-ROLXFIACSA-N
XLogP0.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 (5S)-5-(bromomethyl)oxolan-2-ol?
The IUPAC name of (5S)-5-(bromomethyl)oxolan-2-ol (CID 14587484) is (5S)-5-(bromomethyl)oxolan-2-ol.
What is the SMILES notation for (5S)-5-(bromomethyl)oxolan-2-ol?
The canonical SMILES for (5S)-5-(bromomethyl)oxolan-2-ol is OC1CC[C@@H](CBr)O1.
What is the InChIKey of (5S)-5-(bromomethyl)oxolan-2-ol?
The InChIKey is YCWGUHNTCUOMTQ-ROLXFIACSA-N. The full InChI is InChI=1S/C5H9BrO2/c6-3-4-1-2-5(7)8-4/h4-5,7H,1-3H2/t4-,5?/m0/s1.
What are the key properties of (5S)-5-(bromomethyl)oxolan-2-ol?
(5S)-5-(bromomethyl)oxolan-2-ol has a molecular weight of 181.03 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(bromomethyl)oxolan-2-ol is sourced from PubChem (CID 14587484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).