2-hydroxyethyl 2-methylprop-2-enoate sulfate

C6H10O7S-2 — CID 20566074

IUPAC2-hydroxyethyl 2-methylprop-2-enoate sulfate
SMILESC=C(C)C(=O)OCCO.O=S(=O)([O-])[O-]
InChIInChI=1S/C6H10O3.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H2,1,2,3,4)/p-2
InChIKeyNRJSFLGCPQFGJV-UHFFFAOYSA-L
MW226.21 g/mol
LogP-1.24
Rot. Bonds3

About 2-hydroxyethyl 2-methylprop-2-enoate sulfate

2-hydroxyethyl 2-methylprop-2-enoate sulfate (PubChem CID 20566074) has the molecular formula C6H10O7S-2 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate sulfate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate sulfate
PubChem CID20566074
Molecular FormulaC6H10O7S-2
Molecular Weight226.21 g/mol
Exact Mass226.02
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate sulfate
SMILESC=C(C)C(=O)OCCO.O=S(=O)([O-])[O-]
InChIInChI=1S/C6H10O3.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H2,1,2,3,4)/p-2
InChIKeyNRJSFLGCPQFGJV-UHFFFAOYSA-L
XLogP-1.24
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', '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;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
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
CID 174612493
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 53470662

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate sulfate?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate sulfate (CID 20566074) is 2-hydroxyethyl 2-methylprop-2-enoate sulfate.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate sulfate?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate sulfate is C=C(C)C(=O)OCCO.O=S(=O)([O-])[O-].
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate sulfate?
The InChIKey is NRJSFLGCPQFGJV-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O3.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H2,1,2,3,4)/p-2.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate sulfate?
2-hydroxyethyl 2-methylprop-2-enoate sulfate has a molecular weight of 226.21 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate sulfate is sourced from PubChem (CID 20566074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).