2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H19BO2 — CID 58414455

IUPAC2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC=CC2)OC1(C)C
InChIInChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyBRIFCKLFOFVHRK-UHFFFAOYSA-N
MW194.08 g/mol
LogP2.80
Rot. Bonds1

About 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 58414455) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID58414455
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Name2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC=CC2)OC1(C)C
InChIInChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyBRIFCKLFOFVHRK-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 58414455) is 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CC=CC2)OC1(C)C.
What is the InChIKey of 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BRIFCKLFOFVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 194.08 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 58414455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).