(2R)-2-hydroperoxyoxetan-3-ol

C3H6O4 — CID 118398660

IUPAC(2R)-2-hydroperoxyoxetan-3-ol
SMILESOO[C@H]1OCC1O
InChIInChI=1S/C3H6O4/c4-2-1-6-3(2)7-5/h2-5H,1H2/t2?,3-/m1/s1
InChIKeyIFQNCOAJBJNNIR-ZJRLKYRESA-N
MW106.08 g/mol
LogP-0.81
Rot. Bonds1

About (2R)-2-hydroperoxyoxetan-3-ol

(2R)-2-hydroperoxyoxetan-3-ol (PubChem CID 118398660) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is (2R)-2-hydroperoxyoxetan-3-ol.

Molecular Properties

Compound Name(2R)-2-hydroperoxyoxetan-3-ol
PubChem CID118398660
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Name(2R)-2-hydroperoxyoxetan-3-ol
SMILESOO[C@H]1OCC1O
InChIInChI=1S/C3H6O4/c4-2-1-6-3(2)7-5/h2-5H,1H2/t2?,3-/m1/s1
InChIKeyIFQNCOAJBJNNIR-ZJRLKYRESA-N
XLogP-0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroperoxyoxetan-3-ol?
The IUPAC name of (2R)-2-hydroperoxyoxetan-3-ol (CID 118398660) is (2R)-2-hydroperoxyoxetan-3-ol.
What is the SMILES notation for (2R)-2-hydroperoxyoxetan-3-ol?
The canonical SMILES for (2R)-2-hydroperoxyoxetan-3-ol is OO[C@H]1OCC1O.
What is the InChIKey of (2R)-2-hydroperoxyoxetan-3-ol?
The InChIKey is IFQNCOAJBJNNIR-ZJRLKYRESA-N. The full InChI is InChI=1S/C3H6O4/c4-2-1-6-3(2)7-5/h2-5H,1H2/t2?,3-/m1/s1.
What are the key properties of (2R)-2-hydroperoxyoxetan-3-ol?
(2R)-2-hydroperoxyoxetan-3-ol has a molecular weight of 106.08 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroperoxyoxetan-3-ol is sourced from PubChem (CID 118398660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).