5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane

C19H24BNO2 — CID 12033970

IUPAC5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane
SMILESCC(C)N1OB(c2ccccc2)OC(C)C1(C)c1ccccc1
InChIInChI=1S/C19H24BNO2/c1-15(2)21-19(4,17-11-7-5-8-12-17)16(3)22-20(23-21)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyYRQMUZAUFDHILZ-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.36
Rot. Bonds3

About 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane

5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane (PubChem CID 12033970) has the molecular formula C19H24BNO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane.

Molecular Properties

Compound Name5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane
PubChem CID12033970
Molecular FormulaC19H24BNO2
Molecular Weight309.22 g/mol
Exact Mass309.19
IUPAC Name5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane
SMILESCC(C)N1OB(c2ccccc2)OC(C)C1(C)c1ccccc1
InChIInChI=1S/C19H24BNO2/c1-15(2)21-19(4,17-11-7-5-8-12-17)16(3)22-20(23-21)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyYRQMUZAUFDHILZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.36
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 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane?
The IUPAC name of 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane (CID 12033970) is 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane.
What is the SMILES notation for 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane?
The canonical SMILES for 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane is CC(C)N1OB(c2ccccc2)OC(C)C1(C)c1ccccc1.
What is the InChIKey of 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane?
The InChIKey is YRQMUZAUFDHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO2/c1-15(2)21-19(4,17-11-7-5-8-12-17)16(3)22-20(23-21)18-13-9-6-10-14-18/h5-16H,1-4H3.
What are the key properties of 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane?
5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane has a molecular weight of 309.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane is sourced from PubChem (CID 12033970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).