di(propan-2-yloxy)-pyridazin-3-ylborane

C10H17BN2O2 — CID 140881675

IUPACdi(propan-2-yloxy)-pyridazin-3-ylborane
SMILESCC(C)OB(OC(C)C)c1cccnn1
InChIInChI=1S/C10H17BN2O2/c1-8(2)14-11(15-9(3)4)10-6-5-7-12-13-10/h5-9H,1-4H3
InChIKeyRFWAYJHKUIDPJN-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.02
Rot. Bonds5

About di(propan-2-yloxy)-pyridazin-3-ylborane

di(propan-2-yloxy)-pyridazin-3-ylborane (PubChem CID 140881675) has the molecular formula C10H17BN2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is di(propan-2-yloxy)-pyridazin-3-ylborane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-pyridazin-3-ylborane
PubChem CID140881675
Molecular FormulaC10H17BN2O2
Molecular Weight208.07 g/mol
Exact Mass208.14
IUPAC Namedi(propan-2-yloxy)-pyridazin-3-ylborane
SMILESCC(C)OB(OC(C)C)c1cccnn1
InChIInChI=1S/C10H17BN2O2/c1-8(2)14-11(15-9(3)4)10-6-5-7-12-13-10/h5-9H,1-4H3
InChIKeyRFWAYJHKUIDPJN-UHFFFAOYSA-N
XLogP1.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 di(propan-2-yloxy)-pyridazin-3-ylborane?
The IUPAC name of di(propan-2-yloxy)-pyridazin-3-ylborane (CID 140881675) is di(propan-2-yloxy)-pyridazin-3-ylborane.
What is the SMILES notation for di(propan-2-yloxy)-pyridazin-3-ylborane?
The canonical SMILES for di(propan-2-yloxy)-pyridazin-3-ylborane is CC(C)OB(OC(C)C)c1cccnn1.
What is the InChIKey of di(propan-2-yloxy)-pyridazin-3-ylborane?
The InChIKey is RFWAYJHKUIDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2/c1-8(2)14-11(15-9(3)4)10-6-5-7-12-13-10/h5-9H,1-4H3.
What are the key properties of di(propan-2-yloxy)-pyridazin-3-ylborane?
di(propan-2-yloxy)-pyridazin-3-ylborane has a molecular weight of 208.07 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-pyridazin-3-ylborane is sourced from PubChem (CID 140881675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).