2,6-dimethyl-1,3,6,2-dioxazaborocane

C6H14BNO2 — CID 23568385

IUPAC2,6-dimethyl-1,3,6,2-dioxazaborocane
SMILESCB1OCCN(C)CCO1
InChIInChI=1S/C6H14BNO2/c1-7-9-5-3-8(2)4-6-10-7/h3-6H2,1-2H3
InChIKeyZCOJIYPWRRIQAW-UHFFFAOYSA-N
MW143.00 g/mol
LogP0.08
Rot. Bonds

About 2,6-dimethyl-1,3,6,2-dioxazaborocane

2,6-dimethyl-1,3,6,2-dioxazaborocane (PubChem CID 23568385) has the molecular formula C6H14BNO2 and a molecular weight of 143.00 g/mol. Its IUPAC name is 2,6-dimethyl-1,3,6,2-dioxazaborocane.

Molecular Properties

Compound Name2,6-dimethyl-1,3,6,2-dioxazaborocane
PubChem CID23568385
Molecular FormulaC6H14BNO2
Molecular Weight143.00 g/mol
Exact Mass143.11
IUPAC Name2,6-dimethyl-1,3,6,2-dioxazaborocane
SMILESCB1OCCN(C)CCO1
InChIInChI=1S/C6H14BNO2/c1-7-9-5-3-8(2)4-6-10-7/h3-6H2,1-2H3
InChIKeyZCOJIYPWRRIQAW-UHFFFAOYSA-N
XLogP0.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.00
LogP ≤ 50.08
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 2,6-dimethyl-1,3,6,2-dioxazaborocane?
The IUPAC name of 2,6-dimethyl-1,3,6,2-dioxazaborocane (CID 23568385) is 2,6-dimethyl-1,3,6,2-dioxazaborocane.
What is the SMILES notation for 2,6-dimethyl-1,3,6,2-dioxazaborocane?
The canonical SMILES for 2,6-dimethyl-1,3,6,2-dioxazaborocane is CB1OCCN(C)CCO1.
What is the InChIKey of 2,6-dimethyl-1,3,6,2-dioxazaborocane?
The InChIKey is ZCOJIYPWRRIQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BNO2/c1-7-9-5-3-8(2)4-6-10-7/h3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,3,6,2-dioxazaborocane?
2,6-dimethyl-1,3,6,2-dioxazaborocane has a molecular weight of 143.00 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3,6,2-dioxazaborocane is sourced from PubChem (CID 23568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).