hydroxy-oxo-(4-oxobutoxy)phosphanium

C4H8O4P+ — CID 172768343

IUPAChydroxy-oxo-(4-oxobutoxy)phosphanium
SMILESO=CCCCO[P+](=O)O
InChIInChI=1S/C4H7O4P/c5-3-1-2-4-8-9(6)7/h3H,1-2,4H2/p+1
InChIKeyTZRUFIJGAFOFFE-UHFFFAOYSA-O
MW151.08 g/mol
LogP0.63
Rot. Bonds5

About hydroxy-oxo-(4-oxobutoxy)phosphanium

hydroxy-oxo-(4-oxobutoxy)phosphanium (PubChem CID 172768343) has the molecular formula C4H8O4P+ and a molecular weight of 151.08 g/mol. Its IUPAC name is hydroxy-oxo-(4-oxobutoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4-oxobutoxy)phosphanium
PubChem CID172768343
Molecular FormulaC4H8O4P+
Molecular Weight151.08 g/mol
Exact Mass151.02
IUPAC Namehydroxy-oxo-(4-oxobutoxy)phosphanium
SMILESO=CCCCO[P+](=O)O
InChIInChI=1S/C4H7O4P/c5-3-1-2-4-8-9(6)7/h3H,1-2,4H2/p+1
InChIKeyTZRUFIJGAFOFFE-UHFFFAOYSA-O
XLogP0.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
CID 131882023
CID 131882023
4-fluorobut-3-enoxy-hydroxy-oxophosphanium
CID 174280949
hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
CID 175557822
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
4-oxobutoxyboranuide
CID 165066877

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4-oxobutoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(4-oxobutoxy)phosphanium (CID 172768343) is hydroxy-oxo-(4-oxobutoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4-oxobutoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(4-oxobutoxy)phosphanium is O=CCCCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(4-oxobutoxy)phosphanium?
The InChIKey is TZRUFIJGAFOFFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O4P/c5-3-1-2-4-8-9(6)7/h3H,1-2,4H2/p+1.
What are the key properties of hydroxy-oxo-(4-oxobutoxy)phosphanium?
hydroxy-oxo-(4-oxobutoxy)phosphanium has a molecular weight of 151.08 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4-oxobutoxy)phosphanium is sourced from PubChem (CID 172768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).