ethoxy-oxo-pentoxyphosphanium

C7H16O3P+ — CID 86182061

IUPACethoxy-oxo-pentoxyphosphanium
SMILESCCCCCO[P+](=O)OCC
InChIInChI=1S/C7H16O3P/c1-3-5-6-7-10-11(8)9-4-2/h3-7H2,1-2H3/q+1
InChIKeyRHHXILGIXJOSRF-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.89
Rot. Bonds7

About ethoxy-oxo-pentoxyphosphanium

ethoxy-oxo-pentoxyphosphanium (PubChem CID 86182061) has the molecular formula C7H16O3P+ and a molecular weight of 179.18 g/mol. Its IUPAC name is ethoxy-oxo-pentoxyphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-pentoxyphosphanium
PubChem CID86182061
Molecular FormulaC7H16O3P+
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Nameethoxy-oxo-pentoxyphosphanium
SMILESCCCCCO[P+](=O)OCC
InChIInChI=1S/C7H16O3P/c1-3-5-6-7-10-11(8)9-4-2/h3-7H2,1-2H3/q+1
InChIKeyRHHXILGIXJOSRF-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethoxy-hexoxy-oxophosphanium
CID 6329155
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
benzene;dihexoxy(oxo)phosphanium
CID 19391965
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-pentoxyphosphanium?
The IUPAC name of ethoxy-oxo-pentoxyphosphanium (CID 86182061) is ethoxy-oxo-pentoxyphosphanium.
What is the SMILES notation for ethoxy-oxo-pentoxyphosphanium?
The canonical SMILES for ethoxy-oxo-pentoxyphosphanium is CCCCCO[P+](=O)OCC.
What is the InChIKey of ethoxy-oxo-pentoxyphosphanium?
The InChIKey is RHHXILGIXJOSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3P/c1-3-5-6-7-10-11(8)9-4-2/h3-7H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-pentoxyphosphanium?
ethoxy-oxo-pentoxyphosphanium has a molecular weight of 179.18 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-pentoxyphosphanium is sourced from PubChem (CID 86182061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).