2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride

C13H30ClNO2 — CID 158031583

IUPAC2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride
SMILESCCCCCCCC[NH+](C)CCOCCO.[Cl-]
InChIInChI=1S/C13H29NO2.ClH/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;/h15H,3-13H2,1-2H3;1H
InChIKeyQMNODTZPRVUMAM-UHFFFAOYSA-N
MW267.84 g/mol
LogP-2.13
Rot. Bonds12

About 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride

2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride (PubChem CID 158031583) has the molecular formula C13H30ClNO2 and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride
PubChem CID158031583
Molecular FormulaC13H30ClNO2
Molecular Weight267.84 g/mol
Exact Mass267.20
IUPAC Name2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride
SMILESCCCCCCCC[NH+](C)CCOCCO.[Cl-]
InChIInChI=1S/C13H29NO2.ClH/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;/h15H,3-13H2,1-2H3;1H
InChIKeyQMNODTZPRVUMAM-UHFFFAOYSA-N
XLogP-2.13
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
docosyl-methyl-tetradecylazanium chloride
CID 141288943
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride (CID 158031583) is 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride is CCCCCCCC[NH+](C)CCOCCO.[Cl-].
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride?
The InChIKey is QMNODTZPRVUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2.ClH/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;/h15H,3-13H2,1-2H3;1H.
What are the key properties of 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride?
2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride has a molecular weight of 267.84 g/mol, XLogP of -2.13, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride is sourced from PubChem (CID 158031583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).