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

C96H176N7O14+7 — CID 162025909

IUPAC2-[(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
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+](CC)(CCC)CCC.C/C=C/C(=O)OCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H26NO2.2C15H30NO2.C14H20NO2.C14H28NO2.C12H24NO2.C9H18NO2/c1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-6-9(11)12-8-7-10(2,3)4/h7-13H,4-6,14-15H2,1-3H3;4,6-13H2,1-3,5H3;6,10H,5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;5,9H,6-8,10-13H2,1-4H3;5,9H,6-8,10-11H2,1-4H3;5-6H,7-8H2,1-4H3/q7*+1/b13-12+;;10-6+;10-9+;2*9-5+;6-5+
InChIKeyYVJFAHMJKVIYID-ISEVXXOCSA-N
MW1652.50 g/mol
LogP16.93
Rot. Bonds53

About 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

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 (PubChem CID 162025909) has the molecular formula C96H176N7O14+7 and a molecular weight of 1652.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID162025909
Molecular FormulaC96H176N7O14+7
Molecular Weight1652.50 g/mol
Exact Mass1651.32
IUPAC Name2-[(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
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+](CC)(CCC)CCC.C/C=C/C(=O)OCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H26NO2.2C15H30NO2.C14H20NO2.C14H28NO2.C12H24NO2.C9H18NO2/c1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-6-9(11)12-8-7-10(2,3)4/h7-13H,4-6,14-15H2,1-3H3;4,6-13H2,1-3,5H3;6,10H,5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;5,9H,6-8,10-13H2,1-4H3;5,9H,6-8,10-11H2,1-4H3;5-6H,7-8H2,1-4H3/q7*+1/b13-12+;;10-6+;10-9+;2*9-5+;6-5+
InChIKeyYVJFAHMJKVIYID-ISEVXXOCSA-N
XLogP16.93
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds53
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.50
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-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 with MolForge

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Related Compounds

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
triethyl-[2-(3-phenylprop-2-enoyloxy)ethyl]azanium
CID 123772067
(S)-2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium
CID 170124321
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium
CID 163980733
6-[4-[4-[8-[(E)-3-phenylprop-2-enoyl]oxyoctoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433035
6-[4-[4-[9-[(E)-3-phenylprop-2-enoyl]oxynonoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433036
2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 12637024
2-[(E)-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 153307176
6-[4-(3-oxo-3-pentoxyprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323026
6-[4-(3-hexadecoxy-3-oxoprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323709
butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
CID 170177702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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+](CC)(CCC)CCC.C/C=C/C(=O)OCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)OCC[N+](CC)(CCC)CCCC.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of 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?
The InChIKey is YVJFAHMJKVIYID-ISEVXXOCSA-N. The full InChI is InChI=1S/C17H26NO2.2C15H30NO2.C14H20NO2.C14H28NO2.C12H24NO2.C9H18NO2/c1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-12(14)15-11-10-13(6-2,7-3)8-4;1-5-6-9(11)12-8-7-10(2,3)4/h7-13H,4-6,14-15H2,1-3H3;4,6-13H2,1-3,5H3;6,10H,5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;5,9H,6-8,10-13H2,1-4H3;5,9H,6-8,10-11H2,1-4H3;5-6H,7-8H2,1-4H3/q7*+1/b13-12+;;10-6+;10-9+;2*9-5+;6-5+.
What are the key properties of 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?
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 has a molecular weight of 1652.50 g/mol, XLogP of 16.93, 53 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).