triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

C12H24NO2+ — CID 18471725

IUPACtriethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H24NO2/c1-7-13(8-2,9-3)11(6)15-12(14)10(4)5/h11H,4,7-9H2,1-3,5-6H3/q+1
InChIKeyPWNFOOFHQOLVAD-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.33
Rot. Bonds6

About triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 18471725) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID18471725
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Nametriethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H24NO2/c1-7-13(8-2,9-3)11(6)15-12(14)10(4)5/h11H,4,7-9H2,1-3,5-6H3/q+1
InChIKeyPWNFOOFHQOLVAD-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 18471725) is triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is PWNFOOFHQOLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-7-13(8-2,9-3)11(6)15-12(14)10(4)5/h11H,4,7-9H2,1-3,5-6H3/q+1.
What are the key properties of triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 214.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 18471725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).