2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium

C11H22NO2+ — CID 22155829

IUPAC2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium
SMILESCCC/C=C/C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+
InChIKeyFEBXWAFFYJZFMS-BQYQJAHWSA-N
MW200.30 g/mol
LogP1.59
Rot. Bonds6

About 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium

2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium (PubChem CID 22155829) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium
PubChem CID22155829
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium
SMILESCCC/C=C/C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+
InChIKeyFEBXWAFFYJZFMS-BQYQJAHWSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium (CID 22155829) is 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium is CCC/C=C/C(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium?
The InChIKey is FEBXWAFFYJZFMS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+.
What are the key properties of 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium?
2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium has a molecular weight of 200.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-2-enoyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 22155829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).