2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane

C9H14B3NO2 — CID 12896202

IUPAC2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane
SMILESCB1OB(C)N(c2ccccc2)B(C)O1
InChIInChI=1S/C9H14B3NO2/c1-10-13(9-7-5-4-6-8-9)11(2)15-12(3)14-10/h4-8H,1-3H3
InChIKeyBNZRJEVBHFEXAE-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.89
Rot. Bonds1

About 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane

2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane (PubChem CID 12896202) has the molecular formula C9H14B3NO2 and a molecular weight of 200.65 g/mol. Its IUPAC name is 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane.

Molecular Properties

Compound Name2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane
PubChem CID12896202
Molecular FormulaC9H14B3NO2
Molecular Weight200.65 g/mol
Exact Mass201.13
IUPAC Name2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane
SMILESCB1OB(C)N(c2ccccc2)B(C)O1
InChIInChI=1S/C9H14B3NO2/c1-10-13(9-7-5-4-6-8-9)11(2)15-12(3)14-10/h4-8H,1-3H3
InChIKeyBNZRJEVBHFEXAE-UHFFFAOYSA-N
XLogP1.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.89
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 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane?
The IUPAC name of 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane (CID 12896202) is 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane.
What is the SMILES notation for 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane?
The canonical SMILES for 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane is CB1OB(C)N(c2ccccc2)B(C)O1.
What is the InChIKey of 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane?
The InChIKey is BNZRJEVBHFEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14B3NO2/c1-10-13(9-7-5-4-6-8-9)11(2)15-12(3)14-10/h4-8H,1-3H3.
What are the key properties of 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane?
2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane has a molecular weight of 200.65 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-5-phenyl-1,3,5,2,4,6-dioxazatriborinane is sourced from PubChem (CID 12896202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).