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

C16H18BNO2 — CID 12033964

IUPAC4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane
SMILESCC1OB(c2ccccc2)ON(C)C1c1ccccc1
InChIInChI=1S/C16H18BNO2/c1-13-16(14-9-5-3-6-10-14)18(2)20-17(19-13)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyUOUUQESXXAYLEF-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.41
Rot. Bonds2

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

4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane (PubChem CID 12033964) has the molecular formula C16H18BNO2 and a molecular weight of 267.14 g/mol. Its IUPAC name is 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane.

Molecular Properties

Compound Name4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane
PubChem CID12033964
Molecular FormulaC16H18BNO2
Molecular Weight267.14 g/mol
Exact Mass267.14
IUPAC Name4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane
SMILESCC1OB(c2ccccc2)ON(C)C1c1ccccc1
InChIInChI=1S/C16H18BNO2/c1-13-16(14-9-5-3-6-10-14)18(2)20-17(19-13)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyUOUUQESXXAYLEF-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane
CID 99864585
(4S,5R,6R)-4,5-dimethyl-2,4,6-triphenyl-1,3,2-dioxaborinane
CID 10925905
(3S,4S)-1,3-dimethyl-4-phenylazetidine-2-thione
CID 15324830
5,6-dimethyl-2,5-diphenyl-4-propan-2-yl-1,3,4,2-dioxazaborinane
CID 12033970
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
CID 599876
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
(3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
CID 124629415
(4R,5S,9R,10S,14R,15S)-4,5,9,10,14,15-hexakis-phenyl-3,8,13-trioxa-1,6,11-triaza-2,7,12-triboratetracyclo[10.3.0.02,6.07,11]pentadecane
CID 101411938
(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
CID 10686939
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane?
The IUPAC name of 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane (CID 12033964) is 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane.
What is the SMILES notation for 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane?
The canonical SMILES for 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane is CC1OB(c2ccccc2)ON(C)C1c1ccccc1.
What is the InChIKey of 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane?
The InChIKey is UOUUQESXXAYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO2/c1-13-16(14-9-5-3-6-10-14)18(2)20-17(19-13)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane?
4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane has a molecular weight of 267.14 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,5-diphenyl-1,3,4,2-dioxazaborinane is sourced from PubChem (CID 12033964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).