4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium

C11H22NO3+ — CID 140893188

IUPAC4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium
SMILESC=CCOCCOCC[NH+]1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-6-13-10-11-15-9-5-12-3-7-14-8-4-12/h2H,1,3-11H2/p+1
InChIKeyPLKZMZIIVGBYRJ-UHFFFAOYSA-O
MW216.30 g/mol
LogP-0.88
Rot. Bonds8

About 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium

4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium (PubChem CID 140893188) has the molecular formula C11H22NO3+ and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium
PubChem CID140893188
Molecular FormulaC11H22NO3+
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium
SMILESC=CCOCCOCC[NH+]1CCOCC1
InChIInChI=1S/C11H21NO3/c1-2-6-13-10-11-15-9-5-12-3-7-14-8-4-12/h2H,1,3-11H2/p+1
InChIKeyPLKZMZIIVGBYRJ-UHFFFAOYSA-O
XLogP-0.88
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium (CID 140893188) is 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium is C=CCOCCOCC[NH+]1CCOCC1.
What is the InChIKey of 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium?
The InChIKey is PLKZMZIIVGBYRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21NO3/c1-2-6-13-10-11-15-9-5-12-3-7-14-8-4-12/h2H,1,3-11H2/p+1.
What are the key properties of 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium?
4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium has a molecular weight of 216.30 g/mol, XLogP of -0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-prop-2-enoxyethoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 140893188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).