4,4,5,5-tetramethyl-2-phenyloxaborolane

C13H19BO — CID 91532624

IUPAC4,4,5,5-tetramethyl-2-phenyloxaborolane
SMILESCC1(C)CB(c2ccccc2)OC1(C)C
InChIInChI=1S/C13H19BO/c1-12(2)10-14(15-13(12,3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyWFKZDXOBYULPHR-UHFFFAOYSA-N
MW202.11 g/mol
LogP2.72
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-phenyloxaborolane

4,4,5,5-tetramethyl-2-phenyloxaborolane (PubChem CID 91532624) has the molecular formula C13H19BO and a molecular weight of 202.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-phenyloxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-phenyloxaborolane
PubChem CID91532624
Molecular FormulaC13H19BO
Molecular Weight202.11 g/mol
Exact Mass202.15
IUPAC Name4,4,5,5-tetramethyl-2-phenyloxaborolane
SMILESCC1(C)CB(c2ccccc2)OC1(C)C
InChIInChI=1S/C13H19BO/c1-12(2)10-14(15-13(12,3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyWFKZDXOBYULPHR-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,5,5-tetramethyl-2-phenyloxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-phenyloxaborolane (CID 91532624) is 4,4,5,5-tetramethyl-2-phenyloxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-phenyloxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-phenyloxaborolane is CC1(C)CB(c2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-phenyloxaborolane?
The InChIKey is WFKZDXOBYULPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO/c1-12(2)10-14(15-13(12,3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-phenyloxaborolane?
4,4,5,5-tetramethyl-2-phenyloxaborolane has a molecular weight of 202.11 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-phenyloxaborolane is sourced from PubChem (CID 91532624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).