triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

C12H27BO2Si — CID 102128834

IUPACtriethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
SMILESCC[Si](CC)(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H27BO2Si/c1-8-16(9-2,10-3)13-14-11(4,5)12(6,7)15-13/h8-10H2,1-7H3
InChIKeyIUQZZPMFYLUYJJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.67
Rot. Bonds4

About triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane (PubChem CID 102128834) has the molecular formula C12H27BO2Si and a molecular weight of 242.24 g/mol. Its IUPAC name is triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane.

Molecular Properties

Compound Nametriethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
PubChem CID102128834
Molecular FormulaC12H27BO2Si
Molecular Weight242.24 g/mol
Exact Mass242.19
IUPAC Nametriethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
SMILESCC[Si](CC)(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H27BO2Si/c1-8-16(9-2,10-3)13-14-11(4,5)12(6,7)15-13/h8-10H2,1-7H3
InChIKeyIUQZZPMFYLUYJJ-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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 triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The IUPAC name of triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane (CID 102128834) is triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane.
What is the SMILES notation for triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The canonical SMILES for triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane is CC[Si](CC)(CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
The InChIKey is IUQZZPMFYLUYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2Si/c1-8-16(9-2,10-3)13-14-11(4,5)12(6,7)15-13/h8-10H2,1-7H3.
What are the key properties of triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane?
triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane has a molecular weight of 242.24 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane is sourced from PubChem (CID 102128834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).