3,5-dimethyl-1,3,2-oxazaborolidine

C4H10BNO — CID 59762752

IUPAC3,5-dimethyl-1,3,2-oxazaborolidine
SMILESCC1CN(C)BO1
InChIInChI=1S/C4H10BNO/c1-4-3-6(2)5-7-4/h4-5H,3H2,1-2H3
InChIKeyQTMHDQZVMHFZLM-UHFFFAOYSA-N
MW98.94 g/mol
LogP-0.40
Rot. Bonds

About 3,5-dimethyl-1,3,2-oxazaborolidine

3,5-dimethyl-1,3,2-oxazaborolidine (PubChem CID 59762752) has the molecular formula C4H10BNO and a molecular weight of 98.94 g/mol. Its IUPAC name is 3,5-dimethyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name3,5-dimethyl-1,3,2-oxazaborolidine
PubChem CID59762752
Molecular FormulaC4H10BNO
Molecular Weight98.94 g/mol
Exact Mass99.09
IUPAC Name3,5-dimethyl-1,3,2-oxazaborolidine
SMILESCC1CN(C)BO1
InChIInChI=1S/C4H10BNO/c1-4-3-6(2)5-7-4/h4-5H,3H2,1-2H3
InChIKeyQTMHDQZVMHFZLM-UHFFFAOYSA-N
XLogP-0.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.94
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5-dimethyl-1,3,2-oxazaborolidine?
The IUPAC name of 3,5-dimethyl-1,3,2-oxazaborolidine (CID 59762752) is 3,5-dimethyl-1,3,2-oxazaborolidine.
What is the SMILES notation for 3,5-dimethyl-1,3,2-oxazaborolidine?
The canonical SMILES for 3,5-dimethyl-1,3,2-oxazaborolidine is CC1CN(C)BO1.
What is the InChIKey of 3,5-dimethyl-1,3,2-oxazaborolidine?
The InChIKey is QTMHDQZVMHFZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BNO/c1-4-3-6(2)5-7-4/h4-5H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3,2-oxazaborolidine?
3,5-dimethyl-1,3,2-oxazaborolidine has a molecular weight of 98.94 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 59762752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).