4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane

C20H37BO2 — CID 15253342

About 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane (PubChem CID 15253342) has the molecular formula C20H37BO2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane
• PubChem CID: 15253342
• Molecular Formula: C20H37BO2
• Molecular Weight: 320.33 g/mol
• Exact Mass: 320.29
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane
• SMILES: CCCCCC/C=C/C=C(/CCCC)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C20H37BO2/c1-7-9-11-12-13-14-15-17-18(16-10-8-2)21-22-19(3,4)20(5,6)23-21/h14-15,17H,7-13,16H2,1-6H3/b15-14+,18-17-
• InChIKey: LBLDHVDNGGFHEQ-BAKDLITESA-N
• XLogP: 6.26
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.33
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane (CID 15253342) is 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane is CCCCCC/C=C/C=C(/CCCC)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane?

The InChIKey is LBLDHVDNGGFHEQ-BAKDLITESA-N. The full InChI is InChI=1S/C20H37BO2/c1-7-9-11-12-13-14-15-17-18(16-10-8-2)21-22-19(3,4)20(5,6)23-21/h14-15,17H,7-13,16H2,1-6H3/b15-14+,18-17-.

What are the key properties of 4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane has a molecular weight of 320.33 g/mol, XLogP of 6.26, 10 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-[(5E,7E)-tetradeca-5,7-dien-5-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 15253342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).