4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane

C16H32B2O4 — CID 13465330

IUPAC4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
SMILESCC(B1OC(C)(C)C(C)(C)O1)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H32B2O4/c1-11(17-19-13(3,4)14(5,6)20-17)12(2)18-21-15(7,8)16(9,10)22-18/h11-12H,1-10H3
InChIKeyXOMLJKKNYIWHGG-UHFFFAOYSA-N
MW310.05 g/mol
LogP3.95
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane (PubChem CID 13465330) has the molecular formula C16H32B2O4 and a molecular weight of 310.05 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
PubChem CID13465330
Molecular FormulaC16H32B2O4
Molecular Weight310.05 g/mol
Exact Mass310.25
IUPAC Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
SMILESCC(B1OC(C)(C)C(C)(C)O1)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H32B2O4/c1-11(17-19-13(3,4)14(5,6)20-17)12(2)18-21-15(7,8)16(9,10)22-18/h11-12H,1-10H3
InChIKeyXOMLJKKNYIWHGG-UHFFFAOYSA-N
XLogP3.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.05
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane with MolForge

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

Launch Full Analysis

Related Compounds

Bis(pinacolato)diborane
CID 2733548
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetramethyl-2-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)-1,3,2-dioxaborolane
CID 146049519
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl)-1,3,2-dioxaborolane
CID 11438182
4,4,5,5-Tetramethyl-2-(1-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)-1,3,2-dioxaborolane
CID 12157934
2-[2-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913531
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
CID 167726217
2-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
2-[2-Cyclopropyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177799972
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]-1,3,2-dioxaborolane
CID 154712175

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane (CID 13465330) is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane is CC(B1OC(C)(C)C(C)(C)O1)C(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is XOMLJKKNYIWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32B2O4/c1-11(17-19-13(3,4)14(5,6)20-17)12(2)18-21-15(7,8)16(9,10)22-18/h11-12H,1-10H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 310.05 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 13465330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).