4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane

C11H23BO2 — CID 86014281

IUPAC4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h8-9H,1-7H3
InChIKeyATYAARGZZDCIPP-UHFFFAOYSA-N
MW198.11 g/mol
LogP3.12
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane (PubChem CID 86014281) has the molecular formula C11H23BO2 and a molecular weight of 198.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
PubChem CID86014281
Molecular FormulaC11H23BO2
Molecular Weight198.11 g/mol
Exact Mass198.18
IUPAC Name4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h8-9H,1-7H3
InChIKeyATYAARGZZDCIPP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-(3-methylbutan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane (CID 86014281) is 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane is CC(C)C(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is ATYAARGZZDCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h8-9H,1-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 198.11 g/mol, XLogP of 3.12, 2 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-(3-methylbutan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 86014281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).