decyl-dimethyl-(octoxymethyl)azanium

C21H46NO+ — CID 10406436

IUPACdecyl-dimethyl-(octoxymethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)COCCCCCCCC
InChIInChI=1S/C21H46NO/c1-5-7-9-11-13-14-15-17-19-22(3,4)21-23-20-18-16-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyYVHSYNFFBZAPOG-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.54
Rot. Bonds18

About decyl-dimethyl-(octoxymethyl)azanium

decyl-dimethyl-(octoxymethyl)azanium (PubChem CID 10406436) has the molecular formula C21H46NO+ and a molecular weight of 328.61 g/mol. Its IUPAC name is decyl-dimethyl-(octoxymethyl)azanium.

Molecular Properties

Compound Namedecyl-dimethyl-(octoxymethyl)azanium
PubChem CID10406436
Molecular FormulaC21H46NO+
Molecular Weight328.61 g/mol
Exact Mass328.36
IUPAC Namedecyl-dimethyl-(octoxymethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)COCCCCCCCC
InChIInChI=1S/C21H46NO/c1-5-7-9-11-13-14-15-17-19-22(3,4)21-23-20-18-16-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyYVHSYNFFBZAPOG-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
butoxymethyl-decyl-dimethylazanium
CID 10494975
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
decoxymethyl(trimethyl)azanium
CID 12769756
2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
CID 11235536
decyl-(2-ethylbutoxymethyl)-dimethylazanium
CID 10544800
2-decanoyloxyethyl-dimethyl-(nonoxymethyl)azanium
CID 11430502
2-decanoyloxyethyl-(dodecoxymethyl)-dimethylazanium
CID 11340545
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(octoxymethyl)azanium?
The IUPAC name of decyl-dimethyl-(octoxymethyl)azanium (CID 10406436) is decyl-dimethyl-(octoxymethyl)azanium.
What is the SMILES notation for decyl-dimethyl-(octoxymethyl)azanium?
The canonical SMILES for decyl-dimethyl-(octoxymethyl)azanium is CCCCCCCCCC[N+](C)(C)COCCCCCCCC.
What is the InChIKey of decyl-dimethyl-(octoxymethyl)azanium?
The InChIKey is YVHSYNFFBZAPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46NO/c1-5-7-9-11-13-14-15-17-19-22(3,4)21-23-20-18-16-12-10-8-6-2/h5-21H2,1-4H3/q+1.
What are the key properties of decyl-dimethyl-(octoxymethyl)azanium?
decyl-dimethyl-(octoxymethyl)azanium has a molecular weight of 328.61 g/mol, XLogP of 6.54, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(octoxymethyl)azanium is sourced from PubChem (CID 10406436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).