ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C19H34NO6+ — CID 87802810

IUPACethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC[N+](C)(C)C.C=CC(=O)OCC
InChIInChI=1S/C9H18NO2.2C5H8O2/c1-8(2)9(11)12-7-6-10(3,4)5;1-4(2)5(6)7-3;1-3-5(6)7-4-2/h1,6-7H2,2-5H3;1H2,2-3H3;3H,1,4H2,2H3/q+1;;
InChIKeyPDJZNZACAZYMJX-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.28
Rot. Bonds7

About ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 87802810) has the molecular formula C19H34NO6+ and a molecular weight of 372.48 g/mol. Its IUPAC name is ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Nameethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID87802810
Molecular FormulaC19H34NO6+
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC Nameethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC[N+](C)(C)C.C=CC(=O)OCC
InChIInChI=1S/C9H18NO2.2C5H8O2/c1-8(2)9(11)12-7-6-10(3,4)5;1-4(2)5(6)7-3;1-3-5(6)7-4-2/h1,6-7H2,2-5H3;1H2,2-3H3;3H,1,4H2,2H3/q+1;;
InChIKeyPDJZNZACAZYMJX-UHFFFAOYSA-N
XLogP2.28
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.28
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

pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
chloromethane;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174378741
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
ethyl prop-2-enoate;sulfane
CID 157093783
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 87802810) is ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC.C=C(C)C(=O)OCC[N+](C)(C)C.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is PDJZNZACAZYMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.2C5H8O2/c1-8(2)9(11)12-7-6-10(3,4)5;1-4(2)5(6)7-3;1-3-5(6)7-4-2/h1,6-7H2,2-5H3;1H2,2-3H3;3H,1,4H2,2H3/q+1;;.
What are the key properties of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 372.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 87802810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).