4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

C20H35BO2 — CID 164510819

About 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (PubChem CID 164510819) has the molecular formula C20H35BO2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
• PubChem CID: 164510819
• Molecular Formula: C20H35BO2
• Molecular Weight: 318.31 g/mol
• Exact Mass: 318.27
• IUPAC Name: 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
• SMILES: CC1CCC(C(C)(C)C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)C1
• InChI: InChI=1S/C20H35BO2/c1-14-8-9-15(10-14)16(2,3)19-11-20(12-19,13-19)21-22-17(4,5)18(6,7)23-21/h14-15H,8-13H2,1-7H3
• InChIKey: DZEUVDJPOSSKCW-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.31
LogP ≤ 5	5.47
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 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (CID 164510819) is 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is CC1CCC(C(C)(C)C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)C1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The InChIKey is DZEUVDJPOSSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO2/c1-14-8-9-15(10-14)16(2,3)19-11-20(12-19,13-19)21-22-17(4,5)18(6,7)23-21/h14-15H,8-13H2,1-7H3.

What are the key properties of 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane has a molecular weight of 318.31 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[3-[2-(3-methylcyclopentyl)propan-2-yl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164510819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).