(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine

C26H28BNO — CID 59883196

IUPAC(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine
SMILESc1ccc(B2N[C@H](C3CCCCC3)C(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C26H28BNO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)29-27(28-25)24-19-11-4-12-20-24/h2-4,7-12,15-21,25,28H,1,5-6,13-14H2/t25-/m1/s1
InChIKeyUEROYZILYZPGED-RUZDIDTESA-N
MW381.33 g/mol
LogP4.89
Rot. Bonds4

About (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine

(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine (PubChem CID 59883196) has the molecular formula C26H28BNO and a molecular weight of 381.33 g/mol. Its IUPAC name is (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine
PubChem CID59883196
Molecular FormulaC26H28BNO
Molecular Weight381.33 g/mol
Exact Mass381.23
IUPAC Name(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine
SMILESc1ccc(B2N[C@H](C3CCCCC3)C(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C26H28BNO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)29-27(28-25)24-19-11-4-12-20-24/h2-4,7-12,15-21,25,28H,1,5-6,13-14H2/t25-/m1/s1
InChIKeyUEROYZILYZPGED-RUZDIDTESA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Oxazaborolidine, 4-methyl-2,5-diphenyl-
CID 613678
(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol
CID 7023048
2-Amino-1,1,3-triphenylpropan-1-ol
CID 4250937
(R)-(+)-2-Amino-1,1,3-triphenyl-1-propanol
CID 7020525
2-Amino-1,1,3-triphenylpropan-1-ol;hydroiodide
CID 16192759
(4R,5R)-4-methyl-2,5-diphenyl-1,3,2-oxazaborolidine
CID 44455670
(4S,5R)-2-methyl-4,5-diphenyl-1,3,2-oxazaborolidine
CID 9813461
(R)-B-methyl-4,5,5-triphenyl-1,3,2-oxazaborolidine
CID 11066960
(S)-2-methyl-4,5,5-triphenyl-1,3,2-oxazaborolidine
CID 11077861
(S)-4-Isopropyl-5,5-diphenyl-1,3,2-oxazaborolidine
CID 11288959
(3S)-2,2-diphenyl-3-propan-2-yl-1,6,9-trioxa-4-azonia-5-boranuidaspiro[4.4]nonane
CID 16215618
(S)-1-((1,3,2-Dioxaborolan-2-yl)oxy)-3-methyl-1,1-diphenylbutan-2-amine
CID 25051993

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine?
The IUPAC name of (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine (CID 59883196) is (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine.
What is the SMILES notation for (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine?
The canonical SMILES for (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine is c1ccc(B2N[C@H](C3CCCCC3)C(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine?
The InChIKey is UEROYZILYZPGED-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28BNO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)29-27(28-25)24-19-11-4-12-20-24/h2-4,7-12,15-21,25,28H,1,5-6,13-14H2/t25-/m1/s1.
What are the key properties of (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine?
(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine has a molecular weight of 381.33 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 59883196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).