magnesium 2-prop-2-enoyloxyethyl phosphate

C5H7MgO6P — CID 174879443

IUPACmagnesium 2-prop-2-enoyloxyethyl phosphate
SMILESC=CC(=O)OCCOP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C5H9O6P.Mg/c1-2-5(6)10-3-4-11-12(7,8)9;/h2H,1,3-4H2,(H2,7,8,9);/q;+2/p-2
InChIKeyPWQWGTASWRQFKL-UHFFFAOYSA-L
MW218.38 g/mol
LogP-1.82
Rot. Bonds5

About magnesium 2-prop-2-enoyloxyethyl phosphate

magnesium 2-prop-2-enoyloxyethyl phosphate (PubChem CID 174879443) has the molecular formula C5H7MgO6P and a molecular weight of 218.38 g/mol. Its IUPAC name is magnesium 2-prop-2-enoyloxyethyl phosphate.

Molecular Properties

Compound Namemagnesium 2-prop-2-enoyloxyethyl phosphate
PubChem CID174879443
Molecular FormulaC5H7MgO6P
Molecular Weight218.38 g/mol
Exact Mass217.98
IUPAC Namemagnesium 2-prop-2-enoyloxyethyl phosphate
SMILESC=CC(=O)OCCOP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C5H9O6P.Mg/c1-2-5(6)10-3-4-11-12(7,8)9;/h2H,1,3-4H2,(H2,7,8,9);/q;+2/p-2
InChIKeyPWQWGTASWRQFKL-UHFFFAOYSA-L
XLogP-1.82
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 5-1.82
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

bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
sodium 2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 172740430
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
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
2-prop-2-enoyloxyethyl (trimethylazaniumyl) phosphate
CID 137354332
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
2-phosphonatooxyethyl phosphate
CID 22721325
sodium;phosphoric acid;4-prop-2-enoyloxybutan-1-olate
CID 157078576
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
CID 172847247
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326

Frequently Asked Questions

What is the IUPAC name of magnesium 2-prop-2-enoyloxyethyl phosphate?
The IUPAC name of magnesium 2-prop-2-enoyloxyethyl phosphate (CID 174879443) is magnesium 2-prop-2-enoyloxyethyl phosphate.
What is the SMILES notation for magnesium 2-prop-2-enoyloxyethyl phosphate?
The canonical SMILES for magnesium 2-prop-2-enoyloxyethyl phosphate is C=CC(=O)OCCOP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium 2-prop-2-enoyloxyethyl phosphate?
The InChIKey is PWQWGTASWRQFKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9O6P.Mg/c1-2-5(6)10-3-4-11-12(7,8)9;/h2H,1,3-4H2,(H2,7,8,9);/q;+2/p-2.
What are the key properties of magnesium 2-prop-2-enoyloxyethyl phosphate?
magnesium 2-prop-2-enoyloxyethyl phosphate has a molecular weight of 218.38 g/mol, XLogP of -1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-prop-2-enoyloxyethyl phosphate is sourced from PubChem (CID 174879443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).