4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane

C19H34B2O4 — CID 134946341

About 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane (PubChem CID 134946341) has the molecular formula C19H34B2O4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane
• PubChem CID: 134946341
• Molecular Formula: C19H34B2O4
• Molecular Weight: 348.10 g/mol
• Exact Mass: 348.26
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(/C=C\CCC/C=C\B2OC(C)(C)C(C)(C)O2)OC1(C)C
• InChI: InChI=1S/C19H34B2O4/c1-16(2)17(3,4)23-20(22-16)14-12-10-9-11-13-15-21-24-18(5,6)19(7,8)25-21/h12-15H,9-11H2,1-8H3/b14-12-,15-13-
• InChIKey: IDBXTVJJZMAFJZ-DZDAAMPGSA-N
• XLogP: 4.53
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.10
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane (CID 134946341) is 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C\CCC/C=C\B2OC(C)(C)C(C)(C)O2)OC1(C)C.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane?

The InChIKey is IDBXTVJJZMAFJZ-DZDAAMPGSA-N. The full InChI is InChI=1S/C19H34B2O4/c1-16(2)17(3,4)23-20(22-16)14-12-10-9-11-13-15-21-24-18(5,6)19(7,8)25-21/h12-15H,9-11H2,1-8H3/b14-12-,15-13-.

What are the key properties of 4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane has a molecular weight of 348.10 g/mol, XLogP of 4.53, 6 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-[(1Z,6Z)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-1,6-dienyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134946341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).