(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane

C17H19BO2 — CID 99864585

IUPAC(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane
SMILESC[C@H]1OB(c2ccccc2)O[C@H](C)C1c1ccccc1
InChIInChI=1S/C17H19BO2/c1-13-17(15-9-5-3-6-10-15)14(2)20-18(19-13)16-11-7-4-8-12-16/h3-14,17H,1-2H3/t13-,14-/m1/s1
InChIKeyDPXZSTGHDSUTMC-ZIAGYGMSSA-N
MW266.15 g/mol
LogP2.99
Rot. Bonds2

About (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane

(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane (PubChem CID 99864585) has the molecular formula C17H19BO2 and a molecular weight of 266.15 g/mol. Its IUPAC name is (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane
PubChem CID99864585
Molecular FormulaC17H19BO2
Molecular Weight266.15 g/mol
Exact Mass266.15
IUPAC Name(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane
SMILESC[C@H]1OB(c2ccccc2)O[C@H](C)C1c1ccccc1
InChIInChI=1S/C17H19BO2/c1-13-17(15-9-5-3-6-10-15)14(2)20-18(19-13)16-11-7-4-8-12-16/h3-14,17H,1-2H3/t13-,14-/m1/s1
InChIKeyDPXZSTGHDSUTMC-ZIAGYGMSSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane?
The IUPAC name of (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane (CID 99864585) is (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane.
What is the SMILES notation for (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane?
The canonical SMILES for (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane is C[C@H]1OB(c2ccccc2)O[C@H](C)C1c1ccccc1.
What is the InChIKey of (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane?
The InChIKey is DPXZSTGHDSUTMC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H19BO2/c1-13-17(15-9-5-3-6-10-15)14(2)20-18(19-13)16-11-7-4-8-12-16/h3-14,17H,1-2H3/t13-,14-/m1/s1.
What are the key properties of (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane?
(4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane has a molecular weight of 266.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dimethyl-2,5-diphenyl-1,3,2-dioxaborinane is sourced from PubChem (CID 99864585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).