tert-butylphosphanium chloride

C4H12ClP — CID 23318676

IUPACtert-butylphosphanium chloride
SMILESCC(C)(C)[PH3+].[Cl-]
InChIInChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyJFVASGNYLSJKCR-UHFFFAOYSA-N
MW126.57 g/mol
LogP-1.60
Rot. Bonds

About tert-butylphosphanium chloride

tert-butylphosphanium chloride (PubChem CID 23318676) has the molecular formula C4H12ClP and a molecular weight of 126.57 g/mol. Its IUPAC name is tert-butylphosphanium chloride.

Molecular Properties

Compound Nametert-butylphosphanium chloride
PubChem CID23318676
Molecular FormulaC4H12ClP
Molecular Weight126.57 g/mol
Exact Mass126.04
IUPAC Nametert-butylphosphanium chloride
SMILESCC(C)(C)[PH3+].[Cl-]
InChIInChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyJFVASGNYLSJKCR-UHFFFAOYSA-N
XLogP-1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.57
LogP ≤ 5-1.60
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

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ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
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chloromethane;2,2-dimethylpropane
CID 142899692
2,2-dimethylpropane;trihydrate
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tert-butyloxidanium
CID 59258481
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056

Frequently Asked Questions

What is the IUPAC name of tert-butylphosphanium chloride?
The IUPAC name of tert-butylphosphanium chloride (CID 23318676) is tert-butylphosphanium chloride.
What is the SMILES notation for tert-butylphosphanium chloride?
The canonical SMILES for tert-butylphosphanium chloride is CC(C)(C)[PH3+].[Cl-].
What is the InChIKey of tert-butylphosphanium chloride?
The InChIKey is JFVASGNYLSJKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H.
What are the key properties of tert-butylphosphanium chloride?
tert-butylphosphanium chloride has a molecular weight of 126.57 g/mol, XLogP of -1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphanium chloride is sourced from PubChem (CID 23318676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).