decyl(phenoxy)azanium chloride

C16H28ClNO — CID 142634787

IUPACdecyl(phenoxy)azanium chloride
SMILESCCCCCCCCCC[NH2+]Oc1ccccc1.[Cl-]
InChIInChI=1S/C16H27NO.ClH/c1-2-3-4-5-6-7-8-12-15-17-18-16-13-10-9-11-14-16;/h9-11,13-14,17H,2-8,12,15H2,1H3;1H
InChIKeyDQJBUJGPXYJGOZ-UHFFFAOYSA-N
MW285.86 g/mol
LogP0.69
Rot. Bonds11

About decyl(phenoxy)azanium chloride

decyl(phenoxy)azanium chloride (PubChem CID 142634787) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is decyl(phenoxy)azanium chloride.

Molecular Properties

Compound Namedecyl(phenoxy)azanium chloride
PubChem CID142634787
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Namedecyl(phenoxy)azanium chloride
SMILESCCCCCCCCCC[NH2+]Oc1ccccc1.[Cl-]
InChIInChI=1S/C16H27NO.ClH/c1-2-3-4-5-6-7-8-12-15-17-18-16-13-10-9-11-14-16;/h9-11,13-14,17H,2-8,12,15H2,1H3;1H
InChIKeyDQJBUJGPXYJGOZ-UHFFFAOYSA-N
XLogP0.69
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
octadecyl(2-phenylethyl)azanium chloride
CID 21249615
benzhydryl(octadecyl)azanium chloride
CID 88728255
benzhydryl(octyl)azanium chloride
CID 88728655
hexadecyl(2-phenylpropan-2-yl)azanium dichloride
CID 54064066
ethene;nonoxybenzene;sulfane
CID 174919596
phenoxymethylbenzene;tetradecane
CID 175006528
anisole;1-chloropentane
CID 174500344
dodecoxybenzene;ethene;hydrate
CID 174804981
1,1'-biphenyl;hexadecane
CID 173308514
dioctyl(phenoxy)alumane
CID 86089915

Frequently Asked Questions

What is the IUPAC name of decyl(phenoxy)azanium chloride?
The IUPAC name of decyl(phenoxy)azanium chloride (CID 142634787) is decyl(phenoxy)azanium chloride.
What is the SMILES notation for decyl(phenoxy)azanium chloride?
The canonical SMILES for decyl(phenoxy)azanium chloride is CCCCCCCCCC[NH2+]Oc1ccccc1.[Cl-].
What is the InChIKey of decyl(phenoxy)azanium chloride?
The InChIKey is DQJBUJGPXYJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-2-3-4-5-6-7-8-12-15-17-18-16-13-10-9-11-14-16;/h9-11,13-14,17H,2-8,12,15H2,1H3;1H.
What are the key properties of decyl(phenoxy)azanium chloride?
decyl(phenoxy)azanium chloride has a molecular weight of 285.86 g/mol, XLogP of 0.69, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(phenoxy)azanium chloride is sourced from PubChem (CID 142634787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).