ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate

C8H17O6P — CID 174621841

IUPACethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.CCP(=O)(O)O
InChIInChI=1S/C6H10O3.C2H7O3P/c1-5(2)6(8)9-4-3-7;1-2-6(3,4)5/h7H,1,3-4H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyHDJSNFPPUMXEKN-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.28
Rot. Bonds4

About ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate

ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 174621841) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID174621841
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Nameethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.CCP(=O)(O)O
InChIInChI=1S/C6H10O3.C2H7O3P/c1-5(2)6(8)9-4-3-7;1-2-6(3,4)5/h7H,1,3-4H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyHDJSNFPPUMXEKN-UHFFFAOYSA-N
XLogP0.28
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
CID 139789755
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144

Frequently Asked Questions

What is the IUPAC name of ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate (CID 174621841) is ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.CCP(=O)(O)O.
What is the InChIKey of ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is HDJSNFPPUMXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H7O3P/c1-5(2)6(8)9-4-3-7;1-2-6(3,4)5/h7H,1,3-4H2,2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate?
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 240.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174621841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).