2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium

C117H234N10O20+10 — CID 159173358

IUPAC2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC/C=C/C(=O)OCC[N+](C)(C)C.C/C=C/C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.C=CC(=O)OCC[N+](C)(C)C.C=CC(=O)OCC[N+](CC)(CC)CC.C=CC(=O)OCC[N+](CC)(CCC)CCC.C=CC(=O)OCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C15H30NO2.2C14H28NO2.C13H26NO2.2C12H24NO2.C11H22NO2.2C9H18NO2.C8H16NO2/c1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;1-5-6-9(11)12-8-7-10(2,3)4;1-5-8(10)11-7-6-9(2,3)4/h4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;7H,3,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5,9H,6-8,10-11H2,1-4H3;5H,1,6-10H2,2-4H3;1,6-7H2,2-5H3;5-6H,7-8H2,1-4H3;5H,1,6-7H2,2-4H3/q10*+1/b;;;;;9-5+;;;6-5+;
InChIKeyKLYWABUGMDEWJI-GHFRPSKBSA-N
MW2101.21 g/mol
LogP18.65
Rot. Bonds71

About 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium

2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium (PubChem CID 159173358) has the molecular formula C117H234N10O20+10 and a molecular weight of 2101.21 g/mol. Its IUPAC name is 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Name2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
PubChem CID159173358
Molecular FormulaC117H234N10O20+10
Molecular Weight2101.21 g/mol
Exact Mass2099.75
IUPAC Name2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC/C=C/C(=O)OCC[N+](C)(C)C.C/C=C/C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.C=CC(=O)OCC[N+](C)(C)C.C=CC(=O)OCC[N+](CC)(CC)CC.C=CC(=O)OCC[N+](CC)(CCC)CCC.C=CC(=O)OCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C15H30NO2.2C14H28NO2.C13H26NO2.2C12H24NO2.C11H22NO2.2C9H18NO2.C8H16NO2/c1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;1-5-6-9(11)12-8-7-10(2,3)4;1-5-8(10)11-7-6-9(2,3)4/h4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;7H,3,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5,9H,6-8,10-11H2,1-4H3;5H,1,6-10H2,2-4H3;1,6-7H2,2-5H3;5-6H,7-8H2,1-4H3;5H,1,6-7H2,2-4H3/q10*+1/b;;;;;9-5+;;;6-5+;
InChIKeyKLYWABUGMDEWJI-GHFRPSKBSA-N
XLogP18.65
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds71
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002101.21
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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'}

Analyze 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium with MolForge

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Related Compounds

2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium;2-[(E)-but-2-enoyl]oxyethyl-ethyl-dipropylazanium;2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium
CID 162025909
(S)-2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium
CID 170124321
butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
CID 170177702
butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
dodecyl-diethyl-(2-prop-2-enoyloxyethyl)azanium
CID 157324966
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
diethyl-hexadecyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 139884591
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium
CID 164959500
dodecyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dioctylazanium
CID 172690680

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium (CID 159173358) is 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium is C/C=C/C(=O)OCC[N+](C)(C)C.C/C=C/C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](CC)(CC)CC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.C=CC(=O)OCC[N+](C)(C)C.C=CC(=O)OCC[N+](CC)(CC)CC.C=CC(=O)OCC[N+](CC)(CCC)CCC.C=CC(=O)OCC[N+](CC)(CCC)CCCC.
What is the InChIKey of 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is KLYWABUGMDEWJI-GHFRPSKBSA-N. The full InChI is InChI=1S/C15H30NO2.2C14H28NO2.C13H26NO2.2C12H24NO2.C11H22NO2.2C9H18NO2.C8H16NO2/c1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;1-5-6-9(11)12-8-7-10(2,3)4;1-5-8(10)11-7-6-9(2,3)4/h4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;7H,3,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5,9H,6-8,10-11H2,1-4H3;5H,1,6-10H2,2-4H3;1,6-7H2,2-5H3;5-6H,7-8H2,1-4H3;5H,1,6-7H2,2-4H3/q10*+1/b;;;;;9-5+;;;6-5+;.
What are the key properties of 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium?
2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 2101.21 g/mol, XLogP of 18.65, 71 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 159173358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).