2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C23H31BO2 — CID 132567785

IUPAC2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(c1ccccc1)C(C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C23H31BO2/c1-7-20(18-14-10-8-11-15-18)23(6,19-16-12-9-13-17-19)24-25-21(2,3)22(4,5)26-24/h8-17,20H,7H2,1-6H3
InChIKeyJOCIHNUVRVYZHY-UHFFFAOYSA-N
MW350.31 g/mol
LogP5.77
Rot. Bonds5

About 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 132567785) has the molecular formula C23H31BO2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID132567785
Molecular FormulaC23H31BO2
Molecular Weight350.31 g/mol
Exact Mass350.24
IUPAC Name2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(c1ccccc1)C(C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C23H31BO2/c1-7-20(18-14-10-8-11-15-18)23(6,19-16-12-9-13-17-19)24-25-21(2,3)22(4,5)26-24/h8-17,20H,7H2,1-6H3
InChIKeyJOCIHNUVRVYZHY-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.31
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 132567785) is 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC(c1ccccc1)C(C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JOCIHNUVRVYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BO2/c1-7-20(18-14-10-8-11-15-18)23(6,19-16-12-9-13-17-19)24-25-21(2,3)22(4,5)26-24/h8-17,20H,7H2,1-6H3.
What are the key properties of 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 350.31 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 132567785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).