chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C11H23ClNO2+ — CID 19391993

IUPACchloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.CCCl
InChIInChI=1S/C9H18NO2.C2H5Cl/c1-8(2)9(11)12-7-6-10(3,4)5;1-2-3/h1,6-7H2,2-5H3;2H2,1H3/q+1;
InChIKeyLDOSJUFIXIDEBG-UHFFFAOYSA-N
MW236.76 g/mol
LogP2.06
Rot. Bonds4

About chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 19391993) has the molecular formula C11H23ClNO2+ and a molecular weight of 236.76 g/mol. Its IUPAC name is chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namechloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID19391993
Molecular FormulaC11H23ClNO2+
Molecular Weight236.76 g/mol
Exact Mass236.14
IUPAC Namechloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.CCCl
InChIInChI=1S/C9H18NO2.C2H5Cl/c1-8(2)9(11)12-7-6-10(3,4)5;1-2-3/h1,6-7H2,2-5H3;2H2,1H3/q+1;
InChIKeyLDOSJUFIXIDEBG-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.76
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139835753
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
2-(2-methylprop-2-enoyloxy)ethyl-[2-(trimethylazaniumyl)ethoxy]phosphinate
CID 168739596
(3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 3022464
diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87837598
butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069

Frequently Asked Questions

What is the IUPAC name of chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 19391993) is chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)C.CCCl.
What is the InChIKey of chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is LDOSJUFIXIDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.C2H5Cl/c1-8(2)9(11)12-7-6-10(3,4)5;1-2-3/h1,6-7H2,2-5H3;2H2,1H3/q+1;.
What are the key properties of chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 236.76 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 19391993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).