2,5-dimethyl-1,3,5,2-dioxazaborinane

C4H10BNO2 — CID 18339117

IUPAC2,5-dimethyl-1,3,5,2-dioxazaborinane
SMILESCB1OCN(C)CO1
InChIInChI=1S/C4H10BNO2/c1-5-7-3-6(2)4-8-5/h3-4H2,1-2H3
InChIKeyIPAXPHVJFBRVGX-UHFFFAOYSA-N
MW114.94 g/mol
LogP-0.00
Rot. Bonds

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

2,5-dimethyl-1,3,5,2-dioxazaborinane (PubChem CID 18339117) has the molecular formula C4H10BNO2 and a molecular weight of 114.94 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,5,2-dioxazaborinane.

Molecular Properties

Compound Name2,5-dimethyl-1,3,5,2-dioxazaborinane
PubChem CID18339117
Molecular FormulaC4H10BNO2
Molecular Weight114.94 g/mol
Exact Mass115.08
IUPAC Name2,5-dimethyl-1,3,5,2-dioxazaborinane
SMILESCB1OCN(C)CO1
InChIInChI=1S/C4H10BNO2/c1-5-7-3-6(2)4-8-5/h3-4H2,1-2H3
InChIKeyIPAXPHVJFBRVGX-UHFFFAOYSA-N
XLogP-0.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.94
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
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 2,5-dimethyl-1,3,5,2-dioxazaborinane?
The IUPAC name of 2,5-dimethyl-1,3,5,2-dioxazaborinane (CID 18339117) is 2,5-dimethyl-1,3,5,2-dioxazaborinane.
What is the SMILES notation for 2,5-dimethyl-1,3,5,2-dioxazaborinane?
The canonical SMILES for 2,5-dimethyl-1,3,5,2-dioxazaborinane is CB1OCN(C)CO1.
What is the InChIKey of 2,5-dimethyl-1,3,5,2-dioxazaborinane?
The InChIKey is IPAXPHVJFBRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BNO2/c1-5-7-3-6(2)4-8-5/h3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3,5,2-dioxazaborinane?
2,5-dimethyl-1,3,5,2-dioxazaborinane has a molecular weight of 114.94 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,5,2-dioxazaborinane is sourced from PubChem (CID 18339117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).