[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid

C6H13BO3 — CID 163654714

IUPAC[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
SMILESC[C@H]1C[C@@H](B(O)O)[C@@H](C)O1
InChIInChI=1S/C6H13BO3/c1-4-3-6(7(8)9)5(2)10-4/h4-6,8-9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyOBJJHOVRZANKGK-KVQBGUIXSA-N
MW143.98 g/mol
LogP0.03
Rot. Bonds1

About [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid

[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid (PubChem CID 163654714) has the molecular formula C6H13BO3 and a molecular weight of 143.98 g/mol. Its IUPAC name is [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid.

Molecular Properties

Compound Name[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
PubChem CID163654714
Molecular FormulaC6H13BO3
Molecular Weight143.98 g/mol
Exact Mass144.10
IUPAC Name[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
SMILESC[C@H]1C[C@@H](B(O)O)[C@@H](C)O1
InChIInChI=1S/C6H13BO3/c1-4-3-6(7(8)9)5(2)10-4/h4-6,8-9H,3H2,1-2H3/t4-,5+,6+/m0/s1
InChIKeyOBJJHOVRZANKGK-KVQBGUIXSA-N
XLogP0.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.98
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid?
The IUPAC name of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid (CID 163654714) is [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid.
What is the SMILES notation for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid?
The canonical SMILES for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid is C[C@H]1C[C@@H](B(O)O)[C@@H](C)O1.
What is the InChIKey of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid?
The InChIKey is OBJJHOVRZANKGK-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H13BO3/c1-4-3-6(7(8)9)5(2)10-4/h4-6,8-9H,3H2,1-2H3/t4-,5+,6+/m0/s1.
What are the key properties of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid?
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid has a molecular weight of 143.98 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid is sourced from PubChem (CID 163654714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).