dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate

C6H9Li2O6P — CID 122611995

IUPACdilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
SMILESC=C(C)C(=O)OCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C6H11O6P.2Li/c1-5(2)6(7)11-3-4-12-13(8,9)10;;/h1,3-4H2,2H3,(H2,8,9,10);;/q;2*+1/p-2
InChIKeyVJSCYUHNURSPTA-UHFFFAOYSA-L
MW221.99 g/mol
LogP-7.04
Rot. Bonds5

About dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate

dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate (PubChem CID 122611995) has the molecular formula C6H9Li2O6P and a molecular weight of 221.99 g/mol. Its IUPAC name is dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate.

Molecular Properties

Compound Namedilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
PubChem CID122611995
Molecular FormulaC6H9Li2O6P
Molecular Weight221.99 g/mol
Exact Mass222.05
IUPAC Namedilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
SMILESC=C(C)C(=O)OCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C6H11O6P.2Li/c1-5(2)6(7)11-3-4-12-13(8,9)10;;/h1,3-4H2,2H3,(H2,8,9,10);;/q;2*+1/p-2
InChIKeyVJSCYUHNURSPTA-UHFFFAOYSA-L
XLogP-7.04
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.99
LogP ≤ 5-7.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

calcium 6-(2-methylprop-2-enoyloxy)hexyl phosphate
CID 122612776
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate
CID 162157563
magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
CID 122612579
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
potassium bis[4-(2-methylprop-2-enoyloxy)butyl] phosphate
CID 122611569
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144

Frequently Asked Questions

What is the IUPAC name of dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate?
The IUPAC name of dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate (CID 122611995) is dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate.
What is the SMILES notation for dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate?
The canonical SMILES for dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate is C=C(C)C(=O)OCCOP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate?
The InChIKey is VJSCYUHNURSPTA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11O6P.2Li/c1-5(2)6(7)11-3-4-12-13(8,9)10;;/h1,3-4H2,2H3,(H2,8,9,10);;/q;2*+1/p-2.
What are the key properties of dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate?
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate has a molecular weight of 221.99 g/mol, XLogP of -7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate is sourced from PubChem (CID 122611995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).