2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane

C11H21BO3 — CID 141389874

IUPAC2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OCCO2)CC(C)(C)O1
InChIInChI=1S/C11H21BO3/c1-10(2)7-9(8-11(3,4)15-10)12-13-5-6-14-12/h9H,5-8H2,1-4H3
InChIKeyHUOCHAQTNACVGE-UHFFFAOYSA-N
MW212.10 g/mol
LogP2.26
Rot. Bonds1

About 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane

2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane (PubChem CID 141389874) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane
PubChem CID141389874
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OCCO2)CC(C)(C)O1
InChIInChI=1S/C11H21BO3/c1-10(2)7-9(8-11(3,4)15-10)12-13-5-6-14-12/h9H,5-8H2,1-4H3
InChIKeyHUOCHAQTNACVGE-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane (CID 141389874) is 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane is CC1(C)CC(B2OCCO2)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane?
The InChIKey is HUOCHAQTNACVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO3/c1-10(2)7-9(8-11(3,4)15-10)12-13-5-6-14-12/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane?
2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane has a molecular weight of 212.10 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 141389874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).