methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C11H24B2O4 — CID 123915503

IUPACmethoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCOB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13/h1-8H3
InChIKeyZQCQMBGZUOCTMB-UHFFFAOYSA-N
MW241.93 g/mol
LogP2.11
Rot. Bonds3

About methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123915503) has the molecular formula C11H24B2O4 and a molecular weight of 241.93 g/mol. Its IUPAC name is methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

Compound Namemethoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
PubChem CID123915503
Molecular FormulaC11H24B2O4
Molecular Weight241.93 g/mol
Exact Mass242.19
IUPAC Namemethoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCOB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13/h1-8H3
InChIKeyZQCQMBGZUOCTMB-UHFFFAOYSA-N
XLogP2.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane 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 methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The IUPAC name of methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123915503) is methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.
What is the SMILES notation for methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The canonical SMILES for methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is COB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The InChIKey is ZQCQMBGZUOCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24B2O4/c1-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13/h1-8H3.
What are the key properties of methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 241.93 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123915503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).