2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H21BO4 — CID 162415218

IUPAC2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO4/c1-9(2)10(3,4)15-11(14-9)8-13-7-6-12-5/h6-8H2,1-5H3
InChIKeyRFFYJJMJGKLWAA-UHFFFAOYSA-N
MW216.09 g/mol
LogP1.28
Rot. Bonds5

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

2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162415218) has the molecular formula C10H21BO4 and a molecular weight of 216.09 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162415218
Molecular FormulaC10H21BO4
Molecular Weight216.09 g/mol
Exact Mass216.15
IUPAC Name2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO4/c1-9(2)10(3,4)15-11(14-9)8-13-7-6-12-5/h6-8H2,1-5H3
InChIKeyRFFYJJMJGKLWAA-UHFFFAOYSA-N
XLogP1.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162415218) is 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCOCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RFFYJJMJGKLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO4/c1-9(2)10(3,4)15-11(14-9)8-13-7-6-12-5/h6-8H2,1-5H3.
What are the key properties of 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 216.09 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).