2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid

C6H16O9P2 — CID 162067648

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
SMILESC=C(C)C(=O)OCCO.OP(O)O.OP(O)O
InChIInChI=1S/C6H10O3.2H3O3P/c1-5(2)6(8)9-4-3-7;2*1-4(2)3/h7H,1,3-4H2,2H3;2*1-3H
InChIKeyZAQXVFSPMVUDEF-UHFFFAOYSA-N
MW294.13 g/mol
LogP-1.52
Rot. Bonds3

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

2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid (PubChem CID 162067648) has the molecular formula C6H16O9P2 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
PubChem CID162067648
Molecular FormulaC6H16O9P2
Molecular Weight294.13 g/mol
Exact Mass294.03
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
SMILESC=C(C)C(=O)OCCO.OP(O)O.OP(O)O
InChIInChI=1S/C6H10O3.2H3O3P/c1-5(2)6(8)9-4-3-7;2*1-4(2)3/h7H,1,3-4H2,2H3;2*1-3H
InChIKeyZAQXVFSPMVUDEF-UHFFFAOYSA-N
XLogP-1.52
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.13
LogP ≤ 5-1.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid 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

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-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
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;propane-1,1-diol
CID 174925229
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid (CID 162067648) is 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid is C=C(C)C(=O)OCCO.OP(O)O.OP(O)O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid?
The InChIKey is ZAQXVFSPMVUDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2H3O3P/c1-5(2)6(8)9-4-3-7;2*1-4(2)3/h7H,1,3-4H2,2H3;2*1-3H.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid?
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid has a molecular weight of 294.13 g/mol, XLogP of -1.52, 3 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid is sourced from PubChem (CID 162067648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).