dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C8H18B2O4 — CID 123627872

IUPACdimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCOB(OC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H18B2O4/c1-7(2)8(3,4)14-10(13-7)9(11-5)12-6/h1-6H3
InChIKeyIXIFIANBGXTKKT-UHFFFAOYSA-N
MW199.85 g/mol
LogP0.94
Rot. Bonds3

About dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123627872) has the molecular formula C8H18B2O4 and a molecular weight of 199.85 g/mol. Its IUPAC name is dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

Compound Namedimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
PubChem CID123627872
Molecular FormulaC8H18B2O4
Molecular Weight199.85 g/mol
Exact Mass200.14
IUPAC Namedimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCOB(OC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H18B2O4/c1-7(2)8(3,4)14-10(13-7)9(11-5)12-6/h1-6H3
InChIKeyIXIFIANBGXTKKT-UHFFFAOYSA-N
XLogP0.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.85
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The IUPAC name of dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123627872) is dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.
What is the SMILES notation for dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The canonical SMILES for dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is COB(OC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The InChIKey is IXIFIANBGXTKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18B2O4/c1-7(2)8(3,4)14-10(13-7)9(11-5)12-6/h1-6H3.
What are the key properties of dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 199.85 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123627872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).