trimethyl(propyl)phosphanium chloride

C6H16ClP — CID 87777347

IUPACtrimethyl(propyl)phosphanium chloride
SMILESCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16P.ClH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyXHLDFYYGYZWKNC-UHFFFAOYSA-M
MW154.62 g/mol
LogP-0.69
Rot. Bonds2

About trimethyl(propyl)phosphanium chloride

trimethyl(propyl)phosphanium chloride (PubChem CID 87777347) has the molecular formula C6H16ClP and a molecular weight of 154.62 g/mol. Its IUPAC name is trimethyl(propyl)phosphanium chloride.

Molecular Properties

Compound Nametrimethyl(propyl)phosphanium chloride
PubChem CID87777347
Molecular FormulaC6H16ClP
Molecular Weight154.62 g/mol
Exact Mass154.07
IUPAC Nametrimethyl(propyl)phosphanium chloride
SMILESCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16P.ClH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyXHLDFYYGYZWKNC-UHFFFAOYSA-M
XLogP-0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 5-0.69
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

henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
N-fluorosulfonylsulfamoyl fluoride;trimethyl(propyl)phosphanium
CID 118555129
trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
trimethyl(2-sulfanylethyl)phosphanium chloride
CID 88852671
pentan-2-ylsulfanium chloride
CID 172855201
tetrapropylphosphanium fluoride
CID 23053641

Frequently Asked Questions

What is the IUPAC name of trimethyl(propyl)phosphanium chloride?
The IUPAC name of trimethyl(propyl)phosphanium chloride (CID 87777347) is trimethyl(propyl)phosphanium chloride.
What is the SMILES notation for trimethyl(propyl)phosphanium chloride?
The canonical SMILES for trimethyl(propyl)phosphanium chloride is CCC[P+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(propyl)phosphanium chloride?
The InChIKey is XHLDFYYGYZWKNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16P.ClH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(propyl)phosphanium chloride?
trimethyl(propyl)phosphanium chloride has a molecular weight of 154.62 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(propyl)phosphanium chloride is sourced from PubChem (CID 87777347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).