2-hydroxyethyl prop-2-enoate sulfate

C5H8O7S-2 — CID 20566072

IUPAC2-hydroxyethyl prop-2-enoate sulfate
SMILESC=CC(=O)OCCO.O=S(=O)([O-])[O-]
InChIInChI=1S/C5H8O3.H2O4S/c1-2-5(7)8-4-3-6;1-5(2,3)4/h2,6H,1,3-4H2;(H2,1,2,3,4)/p-2
InChIKeySUZUGPXLJIWIEN-UHFFFAOYSA-L
MW212.18 g/mol
LogP-1.63
Rot. Bonds3

About 2-hydroxyethyl prop-2-enoate sulfate

2-hydroxyethyl prop-2-enoate sulfate (PubChem CID 20566072) has the molecular formula C5H8O7S-2 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate sulfate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate sulfate
PubChem CID20566072
Molecular FormulaC5H8O7S-2
Molecular Weight212.18 g/mol
Exact Mass212.00
IUPAC Name2-hydroxyethyl prop-2-enoate sulfate
SMILESC=CC(=O)OCCO.O=S(=O)([O-])[O-]
InChIInChI=1S/C5H8O3.H2O4S/c1-2-5(7)8-4-3-6;1-5(2,3)4/h2,6H,1,3-4H2;(H2,1,2,3,4)/p-2
InChIKeySUZUGPXLJIWIEN-UHFFFAOYSA-L
XLogP-1.63
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-1.63
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

sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
calcium bis(2-prop-2-enoyloxyethanesulfonate)
CID 142701395
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
sodium 2-prop-2-enoyloxyethanesulfonate
CID 23682460
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
potassium 3-prop-2-enoyloxypropane-1-sulfonate
CID 23663682

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate sulfate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate sulfate (CID 20566072) is 2-hydroxyethyl prop-2-enoate sulfate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate sulfate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate sulfate is C=CC(=O)OCCO.O=S(=O)([O-])[O-].
What is the InChIKey of 2-hydroxyethyl prop-2-enoate sulfate?
The InChIKey is SUZUGPXLJIWIEN-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O3.H2O4S/c1-2-5(7)8-4-3-6;1-5(2,3)4/h2,6H,1,3-4H2;(H2,1,2,3,4)/p-2.
What are the key properties of 2-hydroxyethyl prop-2-enoate sulfate?
2-hydroxyethyl prop-2-enoate sulfate has a molecular weight of 212.18 g/mol, XLogP of -1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate sulfate is sourced from PubChem (CID 20566072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).