5-(bromomethyl)-3,4-dihydroxyoxolan-2-one

C5H7BrO4 — CID 75089328

IUPAC5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
SMILESO=C1OC(CBr)C(O)C1O
InChIInChI=1S/C5H7BrO4/c6-1-2-3(7)4(8)5(9)10-2/h2-4,7-8H,1H2
InChIKeyMYRODPRKOYUJTI-UHFFFAOYSA-N
MW211.01 g/mol
LogP-0.97
Rot. Bonds1

About 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one

5-(bromomethyl)-3,4-dihydroxyoxolan-2-one (PubChem CID 75089328) has the molecular formula C5H7BrO4 and a molecular weight of 211.01 g/mol. Its IUPAC name is 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
PubChem CID75089328
Molecular FormulaC5H7BrO4
Molecular Weight211.01 g/mol
Exact Mass209.95
IUPAC Name5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
SMILESO=C1OC(CBr)C(O)C1O
InChIInChI=1S/C5H7BrO4/c6-1-2-3(7)4(8)5(9)10-2/h2-4,7-8H,1H2
InChIKeyMYRODPRKOYUJTI-UHFFFAOYSA-N
XLogP-0.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one?
The IUPAC name of 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one (CID 75089328) is 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one.
What is the SMILES notation for 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one?
The canonical SMILES for 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one is O=C1OC(CBr)C(O)C1O.
What is the InChIKey of 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one?
The InChIKey is MYRODPRKOYUJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrO4/c6-1-2-3(7)4(8)5(9)10-2/h2-4,7-8H,1H2.
What are the key properties of 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one?
5-(bromomethyl)-3,4-dihydroxyoxolan-2-one has a molecular weight of 211.01 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3,4-dihydroxyoxolan-2-one is sourced from PubChem (CID 75089328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).