(2-octoxy-2-oxoethyl)azanium chloride

C10H22ClNO2 — CID 102565400

IUPAC(2-octoxy-2-oxoethyl)azanium chloride
SMILESCCCCCCCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H
InChIKeyOORFEZYGSYLFCL-UHFFFAOYSA-N
MW223.74 g/mol
LogP-1.86
Rot. Bonds8

About (2-octoxy-2-oxoethyl)azanium chloride

(2-octoxy-2-oxoethyl)azanium chloride (PubChem CID 102565400) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is (2-octoxy-2-oxoethyl)azanium chloride.

Molecular Properties

Compound Name(2-octoxy-2-oxoethyl)azanium chloride
PubChem CID102565400
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name(2-octoxy-2-oxoethyl)azanium chloride
SMILESCCCCCCCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H
InChIKeyOORFEZYGSYLFCL-UHFFFAOYSA-N
XLogP-1.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-octoxy-2-oxoethyl)azanium chloride?
The IUPAC name of (2-octoxy-2-oxoethyl)azanium chloride (CID 102565400) is (2-octoxy-2-oxoethyl)azanium chloride.
What is the SMILES notation for (2-octoxy-2-oxoethyl)azanium chloride?
The canonical SMILES for (2-octoxy-2-oxoethyl)azanium chloride is CCCCCCCCOC(=O)C[NH3+].[Cl-].
What is the InChIKey of (2-octoxy-2-oxoethyl)azanium chloride?
The InChIKey is OORFEZYGSYLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H.
What are the key properties of (2-octoxy-2-oxoethyl)azanium chloride?
(2-octoxy-2-oxoethyl)azanium chloride has a molecular weight of 223.74 g/mol, XLogP of -1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octoxy-2-oxoethyl)azanium chloride is sourced from PubChem (CID 102565400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).