lithium;dihydroxy(oxo)phosphanium;ethane

C2H7LiO3P+ — CID 161092512

IUPAClithium;dihydroxy(oxo)phosphanium;ethane
SMILESO=[P+](O)O.[CH2-]C.[Li+]
InChIInChI=1S/C2H5.Li.HO3P/c1-2;;1-4(2)3/h1H2,2H3;;(H-,1,2,3)/q-1;+1;/p+1
InChIKeyVDJJUKQUGHFJIV-UHFFFAOYSA-O
MW116.99 g/mol
LogP-2.53
Rot. Bonds

About lithium;dihydroxy(oxo)phosphanium;ethane

lithium;dihydroxy(oxo)phosphanium;ethane (PubChem CID 161092512) has the molecular formula C2H7LiO3P+ and a molecular weight of 116.99 g/mol. Its IUPAC name is lithium;dihydroxy(oxo)phosphanium;ethane.

Molecular Properties

Compound Namelithium;dihydroxy(oxo)phosphanium;ethane
PubChem CID161092512
Molecular FormulaC2H7LiO3P+
Molecular Weight116.99 g/mol
Exact Mass117.03
IUPAC Namelithium;dihydroxy(oxo)phosphanium;ethane
SMILESO=[P+](O)O.[CH2-]C.[Li+]
InChIInChI=1S/C2H5.Li.HO3P/c1-2;;1-4(2)3/h1H2,2H3;;(H-,1,2,3)/q-1;+1;/p+1
InChIKeyVDJJUKQUGHFJIV-UHFFFAOYSA-O
XLogP-2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.99
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;dihydroxy(oxo)phosphanium;ethane?
The IUPAC name of lithium;dihydroxy(oxo)phosphanium;ethane (CID 161092512) is lithium;dihydroxy(oxo)phosphanium;ethane.
What is the SMILES notation for lithium;dihydroxy(oxo)phosphanium;ethane?
The canonical SMILES for lithium;dihydroxy(oxo)phosphanium;ethane is O=[P+](O)O.[CH2-]C.[Li+].
What is the InChIKey of lithium;dihydroxy(oxo)phosphanium;ethane?
The InChIKey is VDJJUKQUGHFJIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5.Li.HO3P/c1-2;;1-4(2)3/h1H2,2H3;;(H-,1,2,3)/q-1;+1;/p+1.
What are the key properties of lithium;dihydroxy(oxo)phosphanium;ethane?
lithium;dihydroxy(oxo)phosphanium;ethane has a molecular weight of 116.99 g/mol, XLogP of -2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydroxy(oxo)phosphanium;ethane is sourced from PubChem (CID 161092512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).