sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium

C8H18NO6S+ — CID 87436586

IUPACsulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C8H16NO2.H2O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5(2,3)4/h5H,1,6-7H2,2-4H3;(H2,1,2,3,4)/q+1;
InChIKeyCWTYJHNHZFOHFY-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.23
Rot. Bonds4

About sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium

sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium (PubChem CID 87436586) has the molecular formula C8H18NO6S+ and a molecular weight of 256.30 g/mol. Its IUPAC name is sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namesulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
PubChem CID87436586
Molecular FormulaC8H18NO6S+
Molecular Weight256.30 g/mol
Exact Mass256.08
IUPAC Namesulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C8H16NO2.H2O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5(2,3)4/h5H,1,6-7H2,2-4H3;(H2,1,2,3,4)/q+1;
InChIKeyCWTYJHNHZFOHFY-UHFFFAOYSA-N
XLogP-0.23
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
trimethyl(8-prop-2-enoyloxyoctyl)azanium
CID 10060306
trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
CID 16686360
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
dimethyl-(3-prop-2-enoyloxypropyl)-(7-sulfoheptyl)azanium
CID 118143331
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
4-methylbenzenesulfonate;trimethyl(4-prop-2-enoyloxybutyl)azanium
CID 172711616
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
ethyl dihydrogen phosphate;trimethyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium
CID 175228586

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium (CID 87436586) is sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(C)C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is CWTYJHNHZFOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2.H2O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5(2,3)4/h5H,1,6-7H2,2-4H3;(H2,1,2,3,4)/q+1;.
What are the key properties of sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium?
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 256.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 87436586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).