triethyl(2-methylprop-2-enoyloxymethyl)azanium

C11H22NO2+ — CID 10420337

IUPACtriethyl(2-methylprop-2-enoyloxymethyl)azanium
SMILESC=C(C)C(=O)OC[N+](CC)(CC)CC
InChIInChI=1S/C11H22NO2/c1-6-12(7-2,8-3)9-14-11(13)10(4)5/h4,6-9H2,1-3,5H3/q+1
InChIKeyBBEJCPOTUXVHSY-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.94
Rot. Bonds6

About triethyl(2-methylprop-2-enoyloxymethyl)azanium

triethyl(2-methylprop-2-enoyloxymethyl)azanium (PubChem CID 10420337) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is triethyl(2-methylprop-2-enoyloxymethyl)azanium.

Molecular Properties

Compound Nametriethyl(2-methylprop-2-enoyloxymethyl)azanium
PubChem CID10420337
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nametriethyl(2-methylprop-2-enoyloxymethyl)azanium
SMILESC=C(C)C(=O)OC[N+](CC)(CC)CC
InChIInChI=1S/C11H22NO2/c1-6-12(7-2,8-3)9-14-11(13)10(4)5/h4,6-9H2,1-3,5H3/q+1
InChIKeyBBEJCPOTUXVHSY-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.94
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(2-methylprop-2-enoyloxymethyl)azanium?
The IUPAC name of triethyl(2-methylprop-2-enoyloxymethyl)azanium (CID 10420337) is triethyl(2-methylprop-2-enoyloxymethyl)azanium.
What is the SMILES notation for triethyl(2-methylprop-2-enoyloxymethyl)azanium?
The canonical SMILES for triethyl(2-methylprop-2-enoyloxymethyl)azanium is C=C(C)C(=O)OC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(2-methylprop-2-enoyloxymethyl)azanium?
The InChIKey is BBEJCPOTUXVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-6-12(7-2,8-3)9-14-11(13)10(4)5/h4,6-9H2,1-3,5H3/q+1.
What are the key properties of triethyl(2-methylprop-2-enoyloxymethyl)azanium?
triethyl(2-methylprop-2-enoyloxymethyl)azanium has a molecular weight of 200.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methylprop-2-enoyloxymethyl)azanium is sourced from PubChem (CID 10420337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).