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

C8H15BO2 — CID 5233012

IUPAC2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H15BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H,1H2,2-5H3
InChIKeyDPGSPRJLAZGUBQ-UHFFFAOYSA-N
MW154.02 g/mol
LogP1.80
Rot. Bonds1

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

2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 5233012) has the molecular formula C8H15BO2 and a molecular weight of 154.02 g/mol. Its IUPAC name is 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID5233012
Molecular FormulaC8H15BO2
Molecular Weight154.02 g/mol
Exact Mass154.12
IUPAC Name2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H15BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H,1H2,2-5H3
InChIKeyDPGSPRJLAZGUBQ-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 51.80
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-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 5233012) is 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DPGSPRJLAZGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H,1H2,2-5H3.
What are the key properties of 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 154.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 5233012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).