2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H25BO3 — CID 58466142

IUPAC2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OC(C)(C)C(C)(C)O2)CCO1
InChIInChI=1S/C13H25BO3/c1-11(2)9-10(7-8-15-11)14-16-12(3,4)13(5,6)17-14/h10H,7-9H2,1-6H3
InChIKeyDXBIVIZTBNVJDX-UHFFFAOYSA-N
MW240.15 g/mol
LogP3.04
Rot. Bonds1

About 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 58466142) has the molecular formula C13H25BO3 and a molecular weight of 240.15 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID58466142
Molecular FormulaC13H25BO3
Molecular Weight240.15 g/mol
Exact Mass240.19
IUPAC Name2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OC(C)(C)C(C)(C)O2)CCO1
InChIInChI=1S/C13H25BO3/c1-11(2)9-10(7-8-15-11)14-16-12(3,4)13(5,6)17-14/h10H,7-9H2,1-6H3
InChIKeyDXBIVIZTBNVJDX-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-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

4,4,5,5-Tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane
CID 42614649
4,4,5,5-Tetramethyl-2-[(oxan-4-yl)methyl]-1,3,2-dioxaborolane
CID 145926783
4,4,5,5-Tetramethyl-2-(oxan-2-yl)-1,3,2-dioxaborolane
CID 89463438
4,4,5,5-Tetramethyl-2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane
CID 89963653
4,4,5,5-Tetramethyl-2-(4-methyloxan-4-yl)-1,3,2-dioxaborolane
CID 125508223
4,4,5,5-Tetramethyl-2-{5-oxaspiro[2.5]octan-1-yl}-1,3,2-dioxaborolane
CID 165491504
4,4,5,5-Tetramethyl-2-((oxan-3-yl)methyl)-1,3,2-dioxaborolane
CID 121230145
4,4,5,5-Tetramethyl-2-({7-oxaspiro[3.5]nonan-2-yl}methyl)-1,3,2-dioxaborolane
CID 137966094
2-(2,6-Dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166000398
2-(4-Cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167735006
4,4,5,5-Tetramethyl-2-(tetrahydro-2H-pyran-3-yl)-1,3,2-dioxaborolane
CID 45787285
4,4,5,5-tetramethyl-2-[(3R,4S)-4-(2-methylpropyl)oxolan-3-yl]-1,3,2-dioxaborolane
CID 162415765

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 58466142) is 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)CC(B2OC(C)(C)C(C)(C)O2)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DXBIVIZTBNVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO3/c1-11(2)9-10(7-8-15-11)14-16-12(3,4)13(5,6)17-14/h10H,7-9H2,1-6H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 240.15 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 58466142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).