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

C11H22B2O4 — CID 91344574

IUPAC5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
SMILESCC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1
InChIInChI=1S/C11H22B2O4/c1-9(2)7-14-12(15-8-9)13-16-10(3,4)11(5,6)17-13/h7-8H2,1-6H3
InChIKeyWSPARIZAHKNHRA-UHFFFAOYSA-N
MW239.92 g/mol
LogP1.72
Rot. Bonds1

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

5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (PubChem CID 91344574) has the molecular formula C11H22B2O4 and a molecular weight of 239.92 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.

Molecular Properties

Compound Name5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
PubChem CID91344574
Molecular FormulaC11H22B2O4
Molecular Weight239.92 g/mol
Exact Mass240.17
IUPAC Name5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
SMILESCC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1
InChIInChI=1S/C11H22B2O4/c1-9(2)7-14-12(15-8-9)13-16-10(3,4)11(5,6)17-13/h7-8H2,1-6H3
InChIKeyWSPARIZAHKNHRA-UHFFFAOYSA-N
XLogP1.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.92
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane with MolForge

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Related Compounds

Di(propan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 89756836
Ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123236906
4,4,5,5-Tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 123380245
2,3-Dimethylbutan-2-yloxy-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-methoxyborane
CID 123501408
(2-Methylpropan-2-yl)oxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123517218
Dimethoxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123627872
Ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123760802
Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123915503
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
CID 143777323
Butan-2-yloxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 144294920
2-(4-Ethyl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
CID 144294992
CID 146783514
CID 146783514

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The IUPAC name of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (CID 91344574) is 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.
What is the SMILES notation for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The canonical SMILES for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is CC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1.
What is the InChIKey of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
The InChIKey is WSPARIZAHKNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22B2O4/c1-9(2)7-14-12(15-8-9)13-16-10(3,4)11(5,6)17-13/h7-8H2,1-6H3.
What are the key properties of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?
5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane has a molecular weight of 239.92 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is sourced from PubChem (CID 91344574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).