[(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane

C19H39BO3Si — CID 154712544

About [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane

[(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane (PubChem CID 154712544) has the molecular formula C19H39BO3Si and a molecular weight of 354.42 g/mol. Its IUPAC name is [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane
• PubChem CID: 154712544
• Molecular Formula: C19H39BO3Si
• Molecular Weight: 354.42 g/mol
• Exact Mass: 354.28
• IUPAC Name: [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane
• SMILES: CC(C)=CCC[C@@H](C)C[C@@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H39BO3Si/c1-15(2)12-11-13-16(3)14-17(21-24(8,9)10)20-22-18(4,5)19(6,7)23-20/h12,16-17H,11,13-14H2,1-10H3/t16-,17-/m1/s1
• InChIKey: BLWVMUVCGWLLLY-IAGOWNOFSA-N
• XLogP: 5.61
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.42
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane?

The IUPAC name of [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane (CID 154712544) is [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane.

What is the SMILES notation for [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane?

The canonical SMILES for [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane is CC(C)=CCC[C@@H](C)C[C@@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane?

The InChIKey is BLWVMUVCGWLLLY-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H39BO3Si/c1-15(2)12-11-13-16(3)14-17(21-24(8,9)10)20-22-18(4,5)19(6,7)23-20/h12,16-17H,11,13-14H2,1-10H3/t16-,17-/m1/s1.

What are the key properties of [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane?

[(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane has a molecular weight of 354.42 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enoxy]-trimethylsilane is sourced from PubChem (CID 154712544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).