methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C19H32NO6+ — CID 87308313

IUPACmethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(CCOC(=O)C(=C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H32NO6/c1-14(2)17(22)24-11-9-20(8,10-12-25-18(23)15(3)4)13-16(21)26-19(5,6)7/h1,3,9-13H2,2,4-8H3/q+1
InChIKeyGFXPBAQIMLYKSW-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.01
Rot. Bonds10

About methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium

methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 87308313) has the molecular formula C19H32NO6+ and a molecular weight of 370.47 g/mol. Its IUPAC name is methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID87308313
Molecular FormulaC19H32NO6+
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Namemethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(CCOC(=O)C(=C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H32NO6/c1-14(2)17(22)24-11-9-20(8,10-12-25-18(23)15(3)4)13-16(21)26-19(5,6)7/h1,3,9-13H2,2,4-8H3/q+1
InChIKeyGFXPBAQIMLYKSW-UHFFFAOYSA-N
XLogP2.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethyl]-(2,2,2-trifluoroethyl)azanium
CID 175967692
bis(2-aminoethyl)-methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium iodide
CID 161486977
diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trifluoromethanesulfonate
CID 159178640
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium
CID 154986768
2-[2,2,3,3,4,4,4-heptafluorobutyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate
CID 170638932
butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069
methyl sulfate;methyl-tris[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoyl]oxyethyl]azanium
CID 157276637
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyethyl 2-methylprop-2-enoate
CID 122369421
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 87308313) is methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(CCOC(=O)C(=C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is GFXPBAQIMLYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO6/c1-14(2)17(22)24-11-9-20(8,10-12-25-18(23)15(3)4)13-16(21)26-19(5,6)7/h1,3,9-13H2,2,4-8H3/q+1.
What are the key properties of methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 370.47 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 87308313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).