(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane

C18H19BO2 — CID 101351257

IUPAC(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane
SMILESC/C=C/CB1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H19BO2/c1-2-3-14-19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+/t17-,18-/m1/s1
InChIKeyPIRNNAFWSHCMLI-QBAOTHAWSA-N
MW278.16 g/mol
LogP4.58
Rot. Bonds4

About (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane

(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane (PubChem CID 101351257) has the molecular formula C18H19BO2 and a molecular weight of 278.16 g/mol. Its IUPAC name is (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane
PubChem CID101351257
Molecular FormulaC18H19BO2
Molecular Weight278.16 g/mol
Exact Mass278.15
IUPAC Name(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane
SMILESC/C=C/CB1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C18H19BO2/c1-2-3-14-19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+/t17-,18-/m1/s1
InChIKeyPIRNNAFWSHCMLI-QBAOTHAWSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane (CID 101351257) is (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane is C/C=C/CB1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane?
The InChIKey is PIRNNAFWSHCMLI-QBAOTHAWSA-N. The full InChI is InChI=1S/C18H19BO2/c1-2-3-14-19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2+/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane?
(4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane has a molecular weight of 278.16 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(E)-but-2-enyl]-4,5-diphenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101351257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).