1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium

C11H25O4P2+ — CID 177396345

IUPAC1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium
SMILESCCCCC(P(OCC)OCC)[P+](=O)OCC
InChIInChI=1S/C11H25O4P2/c1-5-9-10-11(16(12)13-6-2)17(14-7-3)15-8-4/h11H,5-10H2,1-4H3/q+1
InChIKeyGLROGLXQSKQWHF-UHFFFAOYSA-N
MW283.26 g/mol
LogP4.67
Rot. Bonds11

About 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium

1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium (PubChem CID 177396345) has the molecular formula C11H25O4P2+ and a molecular weight of 283.26 g/mol. Its IUPAC name is 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium
PubChem CID177396345
Molecular FormulaC11H25O4P2+
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Name1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium
SMILESCCCCC(P(OCC)OCC)[P+](=O)OCC
InChIInChI=1S/C11H25O4P2/c1-5-9-10-11(16(12)13-6-2)17(14-7-3)15-8-4/h11H,5-10H2,1-4H3/q+1
InChIKeyGLROGLXQSKQWHF-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-octan-3-yl-oxophosphanium
CID 20976036
diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
CID 175740347
butoxy-nonan-5-yl-oxophosphanium
CID 87283149
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
tributyl(methyl)phosphanium
CID 2760115
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
tributyl(methyl)phosphanium iodide
CID 2760114
butoxy-heptan-4-yl-oxophosphanium
CID 87399200
ethoxy-oxo-(propan-2-ylamino)phosphanium
CID 131710025
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
ethoxy-oxo-pentoxyphosphanium
CID 86182061
potassium ethyl-N-isopropylphosphonamidate
CID 131710024

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium?
The IUPAC name of 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium (CID 177396345) is 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium.
What is the SMILES notation for 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium?
The canonical SMILES for 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium is CCCCC(P(OCC)OCC)[P+](=O)OCC.
What is the InChIKey of 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium?
The InChIKey is GLROGLXQSKQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P2/c1-5-9-10-11(16(12)13-6-2)17(14-7-3)15-8-4/h11H,5-10H2,1-4H3/q+1.
What are the key properties of 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium?
1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium has a molecular weight of 283.26 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium is sourced from PubChem (CID 177396345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).