2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H19BO2 — CID 71758241

IUPAC2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC2)OC1(C)C
InChIInChI=1S/C10H19BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h8H,5-7H2,1-4H3
InChIKeyCJHFLFQCUUOKEK-UHFFFAOYSA-N
MW182.07 g/mol
LogP2.63
Rot. Bonds1

About 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71758241) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71758241
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC2)OC1(C)C
InChIInChI=1S/C10H19BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h8H,5-7H2,1-4H3
InChIKeyCJHFLFQCUUOKEK-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.63
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-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71758241) is 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CCC2)OC1(C)C.
What is the InChIKey of 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CJHFLFQCUUOKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).