4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane

C15H27BO4 — CID 123333832

About 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane (PubChem CID 123333832) has the molecular formula C15H27BO4 and a molecular weight of 282.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane
• PubChem CID: 123333832
• Molecular Formula: C15H27BO4
• Molecular Weight: 282.19 g/mol
• Exact Mass: 282.20
• IUPAC Name: 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane
• SMILES: CC=C(CCC1(C)OCCO1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C15H27BO4/c1-7-12(8-9-15(6)17-10-11-18-15)16-19-13(2,3)14(4,5)20-16/h7H,8-11H2,1-6H3
• InChIKey: QUDJVHLKTMKFCT-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.19
LogP ≤ 5	3.11
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 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane (CID 123333832) is 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane is CC=C(CCC1(C)OCCO1)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane?

The InChIKey is QUDJVHLKTMKFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO4/c1-7-12(8-9-15(6)17-10-11-18-15)16-19-13(2,3)14(4,5)20-16/h7H,8-11H2,1-6H3.

What are the key properties of 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane has a molecular weight of 282.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 123333832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).