acetonitrile;cyclohexyl(diiodo)borane

C8H14BI2N — CID 11417872

IUPACacetonitrile;cyclohexyl(diiodo)borane
SMILESCC#N.IB(I)C1CCCCC1
InChIInChI=1S/C6H11BI2.C2H3N/c8-7(9)6-4-2-1-3-5-6;1-2-3/h6H,1-5H2;1H3
InChIKeyXDXLWPIDVYFFAZ-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.21
Rot. Bonds1

About acetonitrile;cyclohexyl(diiodo)borane

acetonitrile;cyclohexyl(diiodo)borane (PubChem CID 11417872) has the molecular formula C8H14BI2N and a molecular weight of 388.83 g/mol. Its IUPAC name is acetonitrile;cyclohexyl(diiodo)borane.

Molecular Properties

Compound Nameacetonitrile;cyclohexyl(diiodo)borane
PubChem CID11417872
Molecular FormulaC8H14BI2N
Molecular Weight388.83 g/mol
Exact Mass388.93
IUPAC Nameacetonitrile;cyclohexyl(diiodo)borane
SMILESCC#N.IB(I)C1CCCCC1
InChIInChI=1S/C6H11BI2.C2H3N/c8-7(9)6-4-2-1-3-5-6;1-2-3/h6H,1-5H2;1H3
InChIKeyXDXLWPIDVYFFAZ-UHFFFAOYSA-N
XLogP4.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;cyclohexanamine;ethane
CID 142319693
[[bis(dicyclohexylboranyl)amino]-cyclohexylboranyl]cyclohexane
CID 175800188
acetonitrile;cyclohexylbenzene
CID 141289539
acetonitrile;triacontahydrate
CID 141398921
cyclohexanecarbonitrile;fluoromethane
CID 143506107
carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
CID 162277794
bromo(dicyclohexyl)borane
CID 11010610
cyclooctanecarbonitrile
CID 13075060
2-dicyclohexylboranylethynyl(trimethyl)silane
CID 22173041
cyclooctanecarbonitrile;methane
CID 173081929
cyclohexanecarbonitrile;hydrochloride
CID 141135021
sodium;cyanoboranuide;N-methylcyclohexanamine
CID 175322273

Frequently Asked Questions

What is the IUPAC name of acetonitrile;cyclohexyl(diiodo)borane?
The IUPAC name of acetonitrile;cyclohexyl(diiodo)borane (CID 11417872) is acetonitrile;cyclohexyl(diiodo)borane.
What is the SMILES notation for acetonitrile;cyclohexyl(diiodo)borane?
The canonical SMILES for acetonitrile;cyclohexyl(diiodo)borane is CC#N.IB(I)C1CCCCC1.
What is the InChIKey of acetonitrile;cyclohexyl(diiodo)borane?
The InChIKey is XDXLWPIDVYFFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BI2.C2H3N/c8-7(9)6-4-2-1-3-5-6;1-2-3/h6H,1-5H2;1H3.
What are the key properties of acetonitrile;cyclohexyl(diiodo)borane?
acetonitrile;cyclohexyl(diiodo)borane has a molecular weight of 388.83 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cyclohexyl(diiodo)borane is sourced from PubChem (CID 11417872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).