2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

C11H23BO2 — CID 71658146

IUPAC2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCC(C)C(C)(C)B1OCC(C)(C)CO1
InChIInChI=1S/C11H23BO2/c1-9(2)11(5,6)12-13-7-10(3,4)8-14-12/h9H,7-8H2,1-6H3
InChIKeyZXYHIKKBHZZGRF-UHFFFAOYSA-N
MW198.11 g/mol
LogP2.98
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (PubChem CID 71658146) has the molecular formula C11H23BO2 and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
PubChem CID71658146
Molecular FormulaC11H23BO2
Molecular Weight198.11 g/mol
Exact Mass198.18
IUPAC Name2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCC(C)C(C)(C)B1OCC(C)(C)CO1
InChIInChI=1S/C11H23BO2/c1-9(2)11(5,6)12-13-7-10(3,4)8-14-12/h9H,7-8H2,1-6H3
InChIKeyZXYHIKKBHZZGRF-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 52.98
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 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (CID 71658146) is 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane is CC(C)C(C)(C)B1OCC(C)(C)CO1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The InChIKey is ZXYHIKKBHZZGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO2/c1-9(2)11(5,6)12-13-7-10(3,4)8-14-12/h9H,7-8H2,1-6H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane has a molecular weight of 198.11 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 71658146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).