5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane

C13H26B2O4 — CID 149497607

IUPAC5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane
SMILESCC1(C)OCB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C13H26B2O4/c1-10(2)11(3,4)17-14(9-16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3
InChIKeyZGIVLAJPKYYMFW-UHFFFAOYSA-N
MW267.97 g/mol
LogP2.29
Rot. Bonds1

About 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane

5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane (PubChem CID 149497607) has the molecular formula C13H26B2O4 and a molecular weight of 267.97 g/mol. Its IUPAC name is 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane.

Molecular Properties

Compound Name5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane
PubChem CID149497607
Molecular FormulaC13H26B2O4
Molecular Weight267.97 g/mol
Exact Mass268.20
IUPAC Name5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane
SMILESCC1(C)OCB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C13H26B2O4/c1-10(2)11(3,4)17-14(9-16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3
InChIKeyZGIVLAJPKYYMFW-UHFFFAOYSA-N
XLogP2.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.97
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane 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 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane?
The IUPAC name of 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane (CID 149497607) is 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane.
What is the SMILES notation for 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane?
The canonical SMILES for 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane is CC1(C)OCB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane?
The InChIKey is ZGIVLAJPKYYMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26B2O4/c1-10(2)11(3,4)17-14(9-16-10)15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3.
What are the key properties of 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane?
5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane has a molecular weight of 267.97 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane is sourced from PubChem (CID 149497607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).