2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H19BO2 — CID 138039625

IUPAC2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC3CC3C2)OC1(C)C
InChIInChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-6-8-5-9(8)7-10/h6,8-9H,5,7H2,1-4H3
InChIKeyKUWQHHQXIOTEEK-UHFFFAOYSA-N
MW206.09 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138039625) has the molecular formula C12H19BO2 and a molecular weight of 206.09 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138039625
Molecular FormulaC12H19BO2
Molecular Weight206.09 g/mol
Exact Mass206.15
IUPAC Name2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC3CC3C2)OC1(C)C
InChIInChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-6-8-5-9(8)7-10/h6,8-9H,5,7H2,1-4H3
InChIKeyKUWQHHQXIOTEEK-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 52.58
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-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138039625) is 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CC3CC3C2)OC1(C)C.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KUWQHHQXIOTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-6-8-5-9(8)7-10/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 206.09 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138039625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).