lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane

C3H9LiO4P+ — CID 175392491

IUPAClithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
SMILESO=[P+](O)O.[CH2-]OCC.[Li+]
InChIInChI=1S/C3H7O.Li.HO3P/c1-3-4-2;;1-4(2)3/h2-3H2,1H3;;(H-,1,2,3)/q-1;+1;/p+1
InChIKeyBWAKXCCAJRUDLA-UHFFFAOYSA-O
MW147.02 g/mol
LogP-2.55
Rot. Bonds1

About lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane

lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane (PubChem CID 175392491) has the molecular formula C3H9LiO4P+ and a molecular weight of 147.02 g/mol. Its IUPAC name is lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane.

Molecular Properties

Compound Namelithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
PubChem CID175392491
Molecular FormulaC3H9LiO4P+
Molecular Weight147.02 g/mol
Exact Mass147.04
IUPAC Namelithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
SMILESO=[P+](O)O.[CH2-]OCC.[Li+]
InChIInChI=1S/C3H7O.Li.HO3P/c1-3-4-2;;1-4(2)3/h2-3H2,1H3;;(H-,1,2,3)/q-1;+1;/p+1
InChIKeyBWAKXCCAJRUDLA-UHFFFAOYSA-O
XLogP-2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.02
LogP ≤ 5-2.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
lithium;dihydroxy(oxo)phosphanium;ethane
CID 161092512
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
dihydroxy(oxo)phosphanium;triethylalumane
CID 175425251
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)
CID 175042860

Frequently Asked Questions

What is the IUPAC name of lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane?
The IUPAC name of lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane (CID 175392491) is lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane.
What is the SMILES notation for lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane?
The canonical SMILES for lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane is O=[P+](O)O.[CH2-]OCC.[Li+].
What is the InChIKey of lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane?
The InChIKey is BWAKXCCAJRUDLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O.Li.HO3P/c1-3-4-2;;1-4(2)3/h2-3H2,1H3;;(H-,1,2,3)/q-1;+1;/p+1.
What are the key properties of lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane?
lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane has a molecular weight of 147.02 g/mol, XLogP of -2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane is sourced from PubChem (CID 175392491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).