dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate

C8H17NO6S — CID 102601418

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate
SMILESC=C(C)C(=O)OCC[NH+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C8H15NO2.H2O4S/c1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h1,5-6H2,2-4H3;(H2,1,2,3,4)
InChIKeySPPGBVHTKYQNLW-UHFFFAOYSA-N
MW255.29 g/mol
LogP-1.75
Rot. Bonds4

About dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate (PubChem CID 102601418) has the molecular formula C8H17NO6S and a molecular weight of 255.29 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate
PubChem CID102601418
Molecular FormulaC8H17NO6S
Molecular Weight255.29 g/mol
Exact Mass255.08
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate
SMILESC=C(C)C(=O)OCC[NH+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C8H15NO2.H2O4S/c1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h1,5-6H2,2-4H3;(H2,1,2,3,4)
InChIKeySPPGBVHTKYQNLW-UHFFFAOYSA-N
XLogP-1.75
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate (CID 102601418) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate is C=C(C)C(=O)OCC[NH+](C)C.O=S(=O)([O-])O.
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate?
The InChIKey is SPPGBVHTKYQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.H2O4S/c1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h1,5-6H2,2-4H3;(H2,1,2,3,4).
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate has a molecular weight of 255.29 g/mol, XLogP of -1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;hydrogen sulfate is sourced from PubChem (CID 102601418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).