magnesium;butyl(triphenyl)boranuide;chloride

C22H24BClMg — CID 138397718

IUPACmagnesium;butyl(triphenyl)boranuide;chloride
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C22H24B.ClH.Mg/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQFPNLPMCUVMBPM-UHFFFAOYSA-M
MW359.00 g/mol
LogP0.58
Rot. Bonds6

About magnesium;butyl(triphenyl)boranuide;chloride

magnesium;butyl(triphenyl)boranuide;chloride (PubChem CID 138397718) has the molecular formula C22H24BClMg and a molecular weight of 359.00 g/mol. Its IUPAC name is magnesium;butyl(triphenyl)boranuide;chloride.

Molecular Properties

Compound Namemagnesium;butyl(triphenyl)boranuide;chloride
PubChem CID138397718
Molecular FormulaC22H24BClMg
Molecular Weight359.00 g/mol
Exact Mass358.15
IUPAC Namemagnesium;butyl(triphenyl)boranuide;chloride
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C22H24B.ClH.Mg/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQFPNLPMCUVMBPM-UHFFFAOYSA-M
XLogP0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.00
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenyltin Chloride
CID 12540
Triphenylphosphine
CID 11776
Triphenyltin hydroxide
CID 9907219
Triphenylantimony
CID 11777
Triphenyltin fluoride
CID 9786
Triphenylbismuth
CID 11774
Triphenylantimony dichloride
CID 11662
Triphenylarsine
CID 11773
Sodium Tetraphenylborate
CID 2723787
Triphenylborane
CID 70400
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenyltin
CID 61146

Frequently Asked Questions

What is the IUPAC name of magnesium;butyl(triphenyl)boranuide;chloride?
The IUPAC name of magnesium;butyl(triphenyl)boranuide;chloride (CID 138397718) is magnesium;butyl(triphenyl)boranuide;chloride.
What is the SMILES notation for magnesium;butyl(triphenyl)boranuide;chloride?
The canonical SMILES for magnesium;butyl(triphenyl)boranuide;chloride is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;butyl(triphenyl)boranuide;chloride?
The InChIKey is QFPNLPMCUVMBPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24B.ClH.Mg/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butyl(triphenyl)boranuide;chloride?
magnesium;butyl(triphenyl)boranuide;chloride has a molecular weight of 359.00 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butyl(triphenyl)boranuide;chloride is sourced from PubChem (CID 138397718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).