2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C22H36B2O4 — CID 101412130

About 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101412130) has the molecular formula C22H36B2O4 and a molecular weight of 386.15 g/mol. Its IUPAC name is 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 101412130
• Molecular Formula: C22H36B2O4
• Molecular Weight: 386.15 g/mol
• Exact Mass: 386.28
• IUPAC Name: 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=CC1CC(B2OC(C)(C)C(C)(C)O2)=C(B2OC(C)(C)C(C)(C)O2)C1=C(C)C
• InChI: InChI=1S/C22H36B2O4/c1-12-15-13-16(23-25-19(4,5)20(6,7)26-23)18(17(15)14(2)3)24-27-21(8,9)22(10,11)28-24/h12,15H,1,13H2,2-11H3
• InChIKey: YVALJOAPKGXTGX-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.15
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101412130) is 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC1CC(B2OC(C)(C)C(C)(C)O2)=C(B2OC(C)(C)C(C)(C)O2)C1=C(C)C.

What is the InChIKey of 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is YVALJOAPKGXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36B2O4/c1-12-15-13-16(23-25-19(4,5)20(6,7)26-23)18(17(15)14(2)3)24-27-21(8,9)22(10,11)28-24/h12,15H,1,13H2,2-11H3.

What are the key properties of 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 386.15 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethenyl-3-propan-2-ylidene-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101412130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).