methyl prop-2-enoate;sulfuric acid

C4H10O10S2 — CID 174506127

IUPACmethyl prop-2-enoate;sulfuric acid
SMILESC=CC(=O)OC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O2.2H2O4S/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H2,1,2,3,4)
InChIKeyKQSHWZCYJMVXJR-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.96
Rot. Bonds1

About methyl prop-2-enoate;sulfuric acid

methyl prop-2-enoate;sulfuric acid (PubChem CID 174506127) has the molecular formula C4H10O10S2 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl prop-2-enoate;sulfuric acid.

Molecular Properties

Compound Namemethyl prop-2-enoate;sulfuric acid
PubChem CID174506127
Molecular FormulaC4H10O10S2
Molecular Weight282.25 g/mol
Exact Mass281.97
IUPAC Namemethyl prop-2-enoate;sulfuric acid
SMILESC=CC(=O)OC.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C4H6O2.2H2O4S/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H2,1,2,3,4)
InChIKeyKQSHWZCYJMVXJR-UHFFFAOYSA-N
XLogP-0.96
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
diiodolead;methyl prop-2-enoate
CID 175762695
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976
ethenoxyethene;methyl prop-2-enoate
CID 159119515
chloroform;methyl prop-2-enoate
CID 123529405
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;sulfuric acid?
The IUPAC name of methyl prop-2-enoate;sulfuric acid (CID 174506127) is methyl prop-2-enoate;sulfuric acid.
What is the SMILES notation for methyl prop-2-enoate;sulfuric acid?
The canonical SMILES for methyl prop-2-enoate;sulfuric acid is C=CC(=O)OC.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of methyl prop-2-enoate;sulfuric acid?
The InChIKey is KQSHWZCYJMVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2H2O4S/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H2,1,2,3,4).
What are the key properties of methyl prop-2-enoate;sulfuric acid?
methyl prop-2-enoate;sulfuric acid has a molecular weight of 282.25 g/mol, XLogP of -0.96, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;sulfuric acid is sourced from PubChem (CID 174506127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).