dilithium;prop-1-enyl phosphate

C3H5Li2O4P — CID 177307945

IUPACdilithium;prop-1-enyl phosphate
SMILESCC=COP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C3H7O4P.2Li/c1-2-3-7-8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyFIMYUIRXSVNQMX-UHFFFAOYSA-L
MW149.92 g/mol
LogP-6.63
Rot. Bonds2

About dilithium;prop-1-enyl phosphate

dilithium;prop-1-enyl phosphate (PubChem CID 177307945) has the molecular formula C3H5Li2O4P and a molecular weight of 149.92 g/mol. Its IUPAC name is dilithium;prop-1-enyl phosphate.

Molecular Properties

Compound Namedilithium;prop-1-enyl phosphate
PubChem CID177307945
Molecular FormulaC3H5Li2O4P
Molecular Weight149.92 g/mol
Exact Mass150.02
IUPAC Namedilithium;prop-1-enyl phosphate
SMILESCC=COP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C3H7O4P.2Li/c1-2-3-7-8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyFIMYUIRXSVNQMX-UHFFFAOYSA-L
XLogP-6.63
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.92
LogP ≤ 5-6.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dilithium;prop-1-enyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-difluorophosphoryloxyprop-1-ene
CID 130422601
methyl(prop-1-enoxy)phosphinic acid
CID 154509834
lithium;iron(3+);methyl phosphate
CID 173011115
1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
difluoro prop-1-enyl phosphate
CID 130422600
chloro bis(prop-1-enyl) phosphate
CID 130422739
[(Z)-2-cyanoethenyl] phosphate
CID 135040715
aluminum [(E)-3-ethoxyprop-1-enyl] phosphate
CID 20550510
methylazanium;methyl phosphate
CID 141397686
sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
CID 175640044
prop-1-enyl propyl hydrogen phosphate
CID 87732909
sodium hydroxy(prop-1-enyl)phosphinate
CID 141013519

Frequently Asked Questions

What is the IUPAC name of dilithium;prop-1-enyl phosphate?
The IUPAC name of dilithium;prop-1-enyl phosphate (CID 177307945) is dilithium;prop-1-enyl phosphate.
What is the SMILES notation for dilithium;prop-1-enyl phosphate?
The canonical SMILES for dilithium;prop-1-enyl phosphate is CC=COP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;prop-1-enyl phosphate?
The InChIKey is FIMYUIRXSVNQMX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O4P.2Li/c1-2-3-7-8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2.
What are the key properties of dilithium;prop-1-enyl phosphate?
dilithium;prop-1-enyl phosphate has a molecular weight of 149.92 g/mol, XLogP of -6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;prop-1-enyl phosphate is sourced from PubChem (CID 177307945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).