3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium

C12H28NO4+ — CID 19774837

IUPAC3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium
SMILESCOCCOCCOC(C)[N+](C)(C)CCCO
InChIInChI=1S/C12H28NO4/c1-12(13(2,3)6-5-7-14)17-11-10-16-9-8-15-4/h12,14H,5-11H2,1-4H3/q+1
InChIKeyBKAOMGAXFKBQIM-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.47
Rot. Bonds11

About 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium

3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium (PubChem CID 19774837) has the molecular formula C12H28NO4+ and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium.

Molecular Properties

Compound Name3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium
PubChem CID19774837
Molecular FormulaC12H28NO4+
Molecular Weight250.36 g/mol
Exact Mass250.20
IUPAC Name3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium
SMILESCOCCOCCOC(C)[N+](C)(C)CCCO
InChIInChI=1S/C12H28NO4/c1-12(13(2,3)6-5-7-14)17-11-10-16-9-8-15-4/h12,14H,5-11H2,1-4H3/q+1
InChIKeyBKAOMGAXFKBQIM-UHFFFAOYSA-N
XLogP0.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 132605784
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The IUPAC name of 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium (CID 19774837) is 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium.
What is the SMILES notation for 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The canonical SMILES for 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium is COCCOCCOC(C)[N+](C)(C)CCCO.
What is the InChIKey of 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The InChIKey is BKAOMGAXFKBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4/c1-12(13(2,3)6-5-7-14)17-11-10-16-9-8-15-4/h12,14H,5-11H2,1-4H3/q+1.
What are the key properties of 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium has a molecular weight of 250.36 g/mol, XLogP of 0.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium is sourced from PubChem (CID 19774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).