butylphosphanium chloride

C4H12ClP — CID 18003114

IUPACbutylphosphanium chloride
SMILESCCCC[PH3+].[Cl-]
InChIInChI=1S/C4H11P.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyCXUFAAUKTHVLAL-UHFFFAOYSA-N
MW126.57 g/mol
LogP-1.60
Rot. Bonds2

About butylphosphanium chloride

butylphosphanium chloride (PubChem CID 18003114) has the molecular formula C4H12ClP and a molecular weight of 126.57 g/mol. Its IUPAC name is butylphosphanium chloride.

Molecular Properties

Compound Namebutylphosphanium chloride
PubChem CID18003114
Molecular FormulaC4H12ClP
Molecular Weight126.57 g/mol
Exact Mass126.04
IUPAC Namebutylphosphanium chloride
SMILESCCCC[PH3+].[Cl-]
InChIInChI=1S/C4H11P.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyCXUFAAUKTHVLAL-UHFFFAOYSA-N
XLogP-1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of butylphosphanium chloride?
The IUPAC name of butylphosphanium chloride (CID 18003114) is butylphosphanium chloride.
What is the SMILES notation for butylphosphanium chloride?
The canonical SMILES for butylphosphanium chloride is CCCC[PH3+].[Cl-].
What is the InChIKey of butylphosphanium chloride?
The InChIKey is CXUFAAUKTHVLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H.
What are the key properties of butylphosphanium chloride?
butylphosphanium chloride has a molecular weight of 126.57 g/mol, XLogP of -1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylphosphanium chloride is sourced from PubChem (CID 18003114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).