(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one

C6H9BrO3 — CID 11735937

IUPAC(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H](O)CBr)O1
InChIInChI=1S/C6H9BrO3/c7-3-4(8)5-1-2-6(9)10-5/h4-5,8H,1-3H2/t4-,5-/m1/s1
InChIKeyWHWYVWRDORNODA-RFZPGFLSSA-N
MW209.04 g/mol
LogP0.45
Rot. Bonds2

About (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one

(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one (PubChem CID 11735937) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
PubChem CID11735937
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H](O)CBr)O1
InChIInChI=1S/C6H9BrO3/c7-3-4(8)5-1-2-6(9)10-5/h4-5,8H,1-3H2/t4-,5-/m1/s1
InChIKeyWHWYVWRDORNODA-RFZPGFLSSA-N
XLogP0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
CID 124582079
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
CID 45113846
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
CID 10849816
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
5-(1-iodoethyl)oxolan-2-one
CID 101198694

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one (CID 11735937) is (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one is O=C1CC[C@H]([C@H](O)CBr)O1.
What is the InChIKey of (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one?
The InChIKey is WHWYVWRDORNODA-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9BrO3/c7-3-4(8)5-1-2-6(9)10-5/h4-5,8H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one?
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one has a molecular weight of 209.04 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 11735937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).