ethyl(2-hydroxyethyl)alumanylium;phosphenous acid

C4H11AlO3P+ — CID 159898317

IUPACethyl(2-hydroxyethyl)alumanylium;phosphenous acid
SMILESCC[Al+]CCO.O=PO
InChIInChI=1S/C2H5O.C2H5.Al.HO2P/c1-2-3;1-2;;1-3-2/h3H,1-2H2;1H2,2H3;;(H,1,2)/q;;+1;
InChIKeyGSKQSLJWYUMAPR-UHFFFAOYSA-N
MW165.08 g/mol
LogP0.72
Rot. Bonds3

About ethyl(2-hydroxyethyl)alumanylium;phosphenous acid

ethyl(2-hydroxyethyl)alumanylium;phosphenous acid (PubChem CID 159898317) has the molecular formula C4H11AlO3P+ and a molecular weight of 165.08 g/mol. Its IUPAC name is ethyl(2-hydroxyethyl)alumanylium;phosphenous acid.

Molecular Properties

Compound Nameethyl(2-hydroxyethyl)alumanylium;phosphenous acid
PubChem CID159898317
Molecular FormulaC4H11AlO3P+
Molecular Weight165.08 g/mol
Exact Mass165.03
IUPAC Nameethyl(2-hydroxyethyl)alumanylium;phosphenous acid
SMILESCC[Al+]CCO.O=PO
InChIInChI=1S/C2H5O.C2H5.Al.HO2P/c1-2-3;1-2;;1-3-2/h3H,1-2H2;1H2,2H3;;(H,1,2)/q;;+1;
InChIKeyGSKQSLJWYUMAPR-UHFFFAOYSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

CID 174986248
CID 174986248
phosphenous acid;propane
CID 19090860
butane-1,4-diol;phosphenous acid
CID 174402363
azane;butane;phosphenous acid
CID 173067034
hexane;phosphenous acid
CID 21406649
phosphenous acid;tetraethylazanium
CID 14943914
ethane-1,2-diol;methyl propanoate;phosphenous acid
CID 175114705
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
butane;phosphenous acid;zinc
CID 174826071
phosphenous acid;triethylazanium;hydrate
CID 131728704
barium(2+);phosphenous acid
CID 118984384

Frequently Asked Questions

What is the IUPAC name of ethyl(2-hydroxyethyl)alumanylium;phosphenous acid?
The IUPAC name of ethyl(2-hydroxyethyl)alumanylium;phosphenous acid (CID 159898317) is ethyl(2-hydroxyethyl)alumanylium;phosphenous acid.
What is the SMILES notation for ethyl(2-hydroxyethyl)alumanylium;phosphenous acid?
The canonical SMILES for ethyl(2-hydroxyethyl)alumanylium;phosphenous acid is CC[Al+]CCO.O=PO.
What is the InChIKey of ethyl(2-hydroxyethyl)alumanylium;phosphenous acid?
The InChIKey is GSKQSLJWYUMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O.C2H5.Al.HO2P/c1-2-3;1-2;;1-3-2/h3H,1-2H2;1H2,2H3;;(H,1,2)/q;;+1;.
What are the key properties of ethyl(2-hydroxyethyl)alumanylium;phosphenous acid?
ethyl(2-hydroxyethyl)alumanylium;phosphenous acid has a molecular weight of 165.08 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-hydroxyethyl)alumanylium;phosphenous acid is sourced from PubChem (CID 159898317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).