tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane

C19H39BO3Si — CID 11602819

About tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane

tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane (PubChem CID 11602819) has the molecular formula C19H39BO3Si and a molecular weight of 354.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
• PubChem CID: 11602819
• Molecular Formula: C19H39BO3Si
• Molecular Weight: 354.42 g/mol
• Exact Mass: 354.28
• IUPAC Name: tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
• SMILES: C=C(C[C@@H](C)CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H39BO3Si/c1-15(12-13-21-24(10,11)17(3,4)5)14-16(2)20-22-18(6,7)19(8,9)23-20/h15H,2,12-14H2,1,3-11H3/t15-/m0/s1
• InChIKey: NUFGZRRQVDBZQI-HNNXBMFYSA-N
• XLogP: 5.61
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• 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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane (CID 11602819) is tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane is C=C(C[C@@H](C)CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?

The InChIKey is NUFGZRRQVDBZQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H39BO3Si/c1-15(12-13-21-24(10,11)17(3,4)5)14-16(2)20-22-18(6,7)19(8,9)23-20/h15H,2,12-14H2,1,3-11H3/t15-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?

tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane has a molecular weight of 354.42 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(3R)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane is sourced from PubChem (CID 11602819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).