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

C7H15BO2 — CID 140694586

IUPAC4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane
SMILES[2H]C([2H])([2H])B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3/i5D3
InChIKeyFOQJHZPURACERJ-VPYROQPTSA-N
MW145.03 g/mol
LogP1.71
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane (PubChem CID 140694586) has the molecular formula C7H15BO2 and a molecular weight of 145.03 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane
PubChem CID140694586
Molecular FormulaC7H15BO2
Molecular Weight145.03 g/mol
Exact Mass145.14
IUPAC Name4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane
SMILES[2H]C([2H])([2H])B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3/i5D3
InChIKeyFOQJHZPURACERJ-VPYROQPTSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.03
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane (CID 140694586) is 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane is [2H]C([2H])([2H])B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane?
The InChIKey is FOQJHZPURACERJ-VPYROQPTSA-N. The full InChI is InChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3/i5D3.
What are the key properties of 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane has a molecular weight of 145.03 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 140694586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).