dichloro-hydroxy-pentylphosphanium

C5H12Cl2OP+ — CID 88601557

IUPACdichloro-hydroxy-pentylphosphanium
SMILESCCCCC[P+](O)(Cl)Cl
InChIInChI=1S/C5H12Cl2OP/c1-2-3-4-5-9(6,7)8/h8H,2-5H2,1H3/q+1
InChIKeyPHEIJDOCXVGCCD-UHFFFAOYSA-N
MW190.03 g/mol
LogP3.41
Rot. Bonds4

About dichloro-hydroxy-pentylphosphanium

dichloro-hydroxy-pentylphosphanium (PubChem CID 88601557) has the molecular formula C5H12Cl2OP+ and a molecular weight of 190.03 g/mol. Its IUPAC name is dichloro-hydroxy-pentylphosphanium.

Molecular Properties

Compound Namedichloro-hydroxy-pentylphosphanium
PubChem CID88601557
Molecular FormulaC5H12Cl2OP+
Molecular Weight190.03 g/mol
Exact Mass189.00
IUPAC Namedichloro-hydroxy-pentylphosphanium
SMILESCCCCC[P+](O)(Cl)Cl
InChIInChI=1S/C5H12Cl2OP/c1-2-3-4-5-9(6,7)8/h8H,2-5H2,1H3/q+1
InChIKeyPHEIJDOCXVGCCD-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloro-hydroxy-pentylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-hydroxy-pentylphosphanium?
The IUPAC name of dichloro-hydroxy-pentylphosphanium (CID 88601557) is dichloro-hydroxy-pentylphosphanium.
What is the SMILES notation for dichloro-hydroxy-pentylphosphanium?
The canonical SMILES for dichloro-hydroxy-pentylphosphanium is CCCCC[P+](O)(Cl)Cl.
What is the InChIKey of dichloro-hydroxy-pentylphosphanium?
The InChIKey is PHEIJDOCXVGCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OP/c1-2-3-4-5-9(6,7)8/h8H,2-5H2,1H3/q+1.
What are the key properties of dichloro-hydroxy-pentylphosphanium?
dichloro-hydroxy-pentylphosphanium has a molecular weight of 190.03 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-hydroxy-pentylphosphanium is sourced from PubChem (CID 88601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).