2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H36B2O4 — CID 134903894

About 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134903894) has the molecular formula C20H36B2O4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 134903894
• Molecular Formula: C20H36B2O4
• Molecular Weight: 362.13 g/mol
• Exact Mass: 362.28
• IUPAC Name: 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=C(B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)C1CCCC1
• InChI: InChI=1S/C20H36B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)16(15-12-10-11-13-15)22-25-19(6,7)20(8,9)26-22/h15-16H,1,10-13H2,2-9H3
• InChIKey: BYTDOMWETMJTOX-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.13
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134903894) is 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)C1CCCC1.

What is the InChIKey of 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is BYTDOMWETMJTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)16(15-12-10-11-13-15)22-25-19(6,7)20(8,9)26-22/h15-16H,1,10-13H2,2-9H3.

What are the key properties of 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 362.13 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134903894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).