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

C16H33BO3Si — CID 11347477

IUPACtert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H33BO3Si/c1-13(11-12-18-21(9,10)14(2,3)4)17-19-15(5,6)16(7,8)20-17/h1,11-12H2,2-10H3
InChIKeyIGIZCTTUZKKHNQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.59
Rot. Bonds5

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

tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane (PubChem CID 11347477) has the molecular formula C16H33BO3Si and a molecular weight of 312.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
PubChem CID11347477
Molecular FormulaC16H33BO3Si
Molecular Weight312.34 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H33BO3Si/c1-13(11-12-18-21(9,10)14(2,3)4)17-19-15(5,6)16(7,8)20-17/h1,11-12H2,2-10H3
InChIKeyIGIZCTTUZKKHNQ-UHFFFAOYSA-N
XLogP4.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane (CID 11347477) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane is C=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
The InChIKey is IGIZCTTUZKKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BO3Si/c1-13(11-12-18-21(9,10)14(2,3)4)17-19-15(5,6)16(7,8)20-17/h1,11-12H2,2-10H3.
What are the key properties of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane?
tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane has a molecular weight of 312.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane is sourced from PubChem (CID 11347477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).