dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)

C8H18K2O8P2+2 — CID 57356188

IUPACdipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
SMILESO=[P+]([O-])OCCCCO.O=[P+]([O-])OCCCCO.[K+].[K+]
InChIInChI=1S/2C4H9O4P.2K/c2*5-3-1-2-4-8-9(6)7;;/h2*5H,1-4H2;;/q;;2*+1
InChIKeyPFRCUTVTKIPHJN-UHFFFAOYSA-N
MW382.37 g/mol
LogP-6.41
Rot. Bonds10

About dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)

dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium) (PubChem CID 57356188) has the molecular formula C8H18K2O8P2+2 and a molecular weight of 382.37 g/mol. Its IUPAC name is dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium).

Molecular Properties

Compound Namedipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
PubChem CID57356188
Molecular FormulaC8H18K2O8P2+2
Molecular Weight382.37 g/mol
Exact Mass381.97
IUPAC Namedipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
SMILESO=[P+]([O-])OCCCCO.O=[P+]([O-])OCCCCO.[K+].[K+]
InChIInChI=1S/2C4H9O4P.2K/c2*5-3-1-2-4-8-9(6)7;;/h2*5H,1-4H2;;/q;;2*+1
InChIKeyPFRCUTVTKIPHJN-UHFFFAOYSA-N
XLogP-6.41
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 5-6.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
CID 22174412
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
oxido-oxo-(4-trihydroxysilylbutoxy)phosphanium
CID 21125217
oxido-oxo-tetracosoxyphosphanium
CID 57352033
6-hydroxyhexoxy-oxo-sulfanylphosphanium
CID 177265997
hydroxymethoxy-oxido-oxophosphanium
CID 152749176
dipotassium;oxido-oxo-phosphooxyphosphanium;pentadecan-1-ol
CID 173412514
calcium;heptan-1-ol;oxido-oxo-phosphooxyphosphanium
CID 88678862
tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
CID 159420357
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 23393003

Frequently Asked Questions

What is the IUPAC name of dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)?
The IUPAC name of dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium) (CID 57356188) is dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium).
What is the SMILES notation for dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)?
The canonical SMILES for dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium) is O=[P+]([O-])OCCCCO.O=[P+]([O-])OCCCCO.[K+].[K+].
What is the InChIKey of dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)?
The InChIKey is PFRCUTVTKIPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O4P.2K/c2*5-3-1-2-4-8-9(6)7;;/h2*5H,1-4H2;;/q;;2*+1.
What are the key properties of dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)?
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium) has a molecular weight of 382.37 g/mol, XLogP of -6.41, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium) is sourced from PubChem (CID 57356188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).