magnesium;butyl-tert-butyl-phenylphosphane;dichloride

C14H23Cl2MgP — CID 174942565

IUPACmagnesium;butyl-tert-butyl-phenylphosphane;dichloride
SMILESCCCCP(c1ccccc1)C(C)(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C14H23P.2ClH.Mg/c1-5-6-12-15(14(2,3)4)13-10-8-7-9-11-13;;;/h7-11H,5-6,12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyPQBNCNGPICNVTM-UHFFFAOYSA-L
MW317.52 g/mol
LogP-1.98
Rot. Bonds4

About magnesium;butyl-tert-butyl-phenylphosphane;dichloride

magnesium;butyl-tert-butyl-phenylphosphane;dichloride (PubChem CID 174942565) has the molecular formula C14H23Cl2MgP and a molecular weight of 317.52 g/mol. Its IUPAC name is magnesium;butyl-tert-butyl-phenylphosphane;dichloride.

Molecular Properties

Compound Namemagnesium;butyl-tert-butyl-phenylphosphane;dichloride
PubChem CID174942565
Molecular FormulaC14H23Cl2MgP
Molecular Weight317.52 g/mol
Exact Mass316.08
IUPAC Namemagnesium;butyl-tert-butyl-phenylphosphane;dichloride
SMILESCCCCP(c1ccccc1)C(C)(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C14H23P.2ClH.Mg/c1-5-6-12-15(14(2,3)4)13-10-8-7-9-11-13;;;/h7-11H,5-6,12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyPQBNCNGPICNVTM-UHFFFAOYSA-L
XLogP-1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-methyl-phenylphosphane
CID 14832966
butyl-phenyl-trimethylsilylphosphane
CID 15076364
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
dipentyl(phenyl)phosphane
CID 3085487
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
CID 134940623
butyl-phenoxy-phenylphosphane
CID 90719182
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
butyl(2-diphenylphosphanylethyl)azanium chloride
CID 11427235
hexadecyl-(2-phenylpropan-2-yl)-tetradecylazanium chloride
CID 19878668
tert-butylbenzene;hexane
CID 175254424
pentane;tritert-butylphosphane
CID 175086214

Frequently Asked Questions

What is the IUPAC name of magnesium;butyl-tert-butyl-phenylphosphane;dichloride?
The IUPAC name of magnesium;butyl-tert-butyl-phenylphosphane;dichloride (CID 174942565) is magnesium;butyl-tert-butyl-phenylphosphane;dichloride.
What is the SMILES notation for magnesium;butyl-tert-butyl-phenylphosphane;dichloride?
The canonical SMILES for magnesium;butyl-tert-butyl-phenylphosphane;dichloride is CCCCP(c1ccccc1)C(C)(C)C.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;butyl-tert-butyl-phenylphosphane;dichloride?
The InChIKey is PQBNCNGPICNVTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H23P.2ClH.Mg/c1-5-6-12-15(14(2,3)4)13-10-8-7-9-11-13;;;/h7-11H,5-6,12H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;butyl-tert-butyl-phenylphosphane;dichloride?
magnesium;butyl-tert-butyl-phenylphosphane;dichloride has a molecular weight of 317.52 g/mol, XLogP of -1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butyl-tert-butyl-phenylphosphane;dichloride is sourced from PubChem (CID 174942565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).