2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C22H35BO2 — CID 143986527

About 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 143986527) has the molecular formula C22H35BO2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 143986527
• Molecular Formula: C22H35BO2
• Molecular Weight: 342.33 g/mol
• Exact Mass: 342.27
• IUPAC Name: 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=C(C)c1c(B2OC(C)(C)C(C)(C)O2)cc(C(C)(C)C)cc1C(C)C
• InChI: InChI=1S/C22H35BO2/c1-14(2)17-12-16(20(5,6)7)13-18(19(17)15(3)4)23-24-21(8,9)22(10,11)25-23/h12-14H,3H2,1-2,4-11H3
• InChIKey: TZWDVIMBQZUEGX-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.33
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 143986527) is 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(C)c1c(B2OC(C)(C)C(C)(C)O2)cc(C(C)(C)C)cc1C(C)C.

What is the InChIKey of 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is TZWDVIMBQZUEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BO2/c1-14(2)17-12-16(20(5,6)7)13-18(19(17)15(3)4)23-24-21(8,9)22(10,11)25-23/h12-14H,3H2,1-2,4-11H3.

What are the key properties of 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 342.33 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143986527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).