2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H21BO2 — CID 141481605

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23C=CC(CC2)C3)OC1(C)C
InChIInChI=1S/C13H21BO2/c1-11(2)12(3,4)16-14(15-11)13-7-5-10(9-13)6-8-13/h5,7,10H,6,8-9H2,1-4H3
InChIKeyQMJAAJPKUHBUSJ-UHFFFAOYSA-N
MW220.12 g/mol
LogP3.19
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 141481605) has the molecular formula C13H21BO2 and a molecular weight of 220.12 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID141481605
Molecular FormulaC13H21BO2
Molecular Weight220.12 g/mol
Exact Mass220.16
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23C=CC(CC2)C3)OC1(C)C
InChIInChI=1S/C13H21BO2/c1-11(2)12(3,4)16-14(15-11)13-7-5-10(9-13)6-8-13/h5,7,10H,6,8-9H2,1-4H3
InChIKeyQMJAAJPKUHBUSJ-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 53.19
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-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 141481605) is 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C23C=CC(CC2)C3)OC1(C)C.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QMJAAJPKUHBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BO2/c1-11(2)12(3,4)16-14(15-11)13-7-5-10(9-13)6-8-13/h5,7,10H,6,8-9H2,1-4H3.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 220.12 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 141481605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).