bis(2-ethoxyethyl)-prop-2-enylazanium chloride

C11H24ClNO2 — CID 141168351

IUPACbis(2-ethoxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[NH+](CCOCC)CCOCC.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-7-12(8-10-13-5-2)9-11-14-6-3;/h4H,1,5-11H2,2-3H3;1H
InChIKeyPTKRDGUFJBQOQU-UHFFFAOYSA-N
MW237.77 g/mol
LogP-2.87
Rot. Bonds10

About bis(2-ethoxyethyl)-prop-2-enylazanium chloride

bis(2-ethoxyethyl)-prop-2-enylazanium chloride (PubChem CID 141168351) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is bis(2-ethoxyethyl)-prop-2-enylazanium chloride.

Molecular Properties

Compound Namebis(2-ethoxyethyl)-prop-2-enylazanium chloride
PubChem CID141168351
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Namebis(2-ethoxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[NH+](CCOCC)CCOCC.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-7-12(8-10-13-5-2)9-11-14-6-3;/h4H,1,5-11H2,2-3H3;1H
InChIKeyPTKRDGUFJBQOQU-UHFFFAOYSA-N
XLogP-2.87
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 5-2.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethoxyethane;ethenamine
CID 160675526
4-ethoxybut-1-ene
CID 533994
1,2-diethoxyethane;ethene
CID 158825770
1-ethenoxy-2-ethoxyethane
CID 14510945
buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887
3-chloroprop-1-ene;ethoxyethane
CID 88697114
bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium
CID 7442944
1,2-diethoxyethane;hydrofluoride
CID 175535770
bis(2-ethoxyethoxy)-prop-2-enylsilane
CID 154410855
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethyl)-prop-2-enylazanium chloride?
The IUPAC name of bis(2-ethoxyethyl)-prop-2-enylazanium chloride (CID 141168351) is bis(2-ethoxyethyl)-prop-2-enylazanium chloride.
What is the SMILES notation for bis(2-ethoxyethyl)-prop-2-enylazanium chloride?
The canonical SMILES for bis(2-ethoxyethyl)-prop-2-enylazanium chloride is C=CC[NH+](CCOCC)CCOCC.[Cl-].
What is the InChIKey of bis(2-ethoxyethyl)-prop-2-enylazanium chloride?
The InChIKey is PTKRDGUFJBQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-7-12(8-10-13-5-2)9-11-14-6-3;/h4H,1,5-11H2,2-3H3;1H.
What are the key properties of bis(2-ethoxyethyl)-prop-2-enylazanium chloride?
bis(2-ethoxyethyl)-prop-2-enylazanium chloride has a molecular weight of 237.77 g/mol, XLogP of -2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethyl)-prop-2-enylazanium chloride is sourced from PubChem (CID 141168351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).