decyl-(2-hydroxydodecyl)-dimethylazanium

C24H52NO+ — CID 10072473

IUPACdecyl-(2-hydroxydodecyl)-dimethylazanium
SMILESCCCCCCCCCCC(O)C[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C24H52NO/c1-5-7-9-11-13-15-17-19-21-24(26)23-25(3,4)22-20-18-16-14-12-10-8-6-2/h24,26H,5-23H2,1-4H3/q+1
InChIKeyFNTJZHKAFSVOMY-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.10
Rot. Bonds20

About decyl-(2-hydroxydodecyl)-dimethylazanium

decyl-(2-hydroxydodecyl)-dimethylazanium (PubChem CID 10072473) has the molecular formula C24H52NO+ and a molecular weight of 370.69 g/mol. Its IUPAC name is decyl-(2-hydroxydodecyl)-dimethylazanium.

Molecular Properties

Compound Namedecyl-(2-hydroxydodecyl)-dimethylazanium
PubChem CID10072473
Molecular FormulaC24H52NO+
Molecular Weight370.69 g/mol
Exact Mass370.40
IUPAC Namedecyl-(2-hydroxydodecyl)-dimethylazanium
SMILESCCCCCCCCCCC(O)C[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C24H52NO/c1-5-7-9-11-13-15-17-19-21-24(26)23-25(3,4)22-20-18-16-14-12-10-8-6-2/h24,26H,5-23H2,1-4H3/q+1
InChIKeyFNTJZHKAFSVOMY-UHFFFAOYSA-N
XLogP7.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyhexadecyl-dimethyl-octadecylazanium chloride
CID 175188143
3-[dimethyl(octadecyl)azaniumyl]propyl-(2-hydroxyoctadecyl)-dimethylazanium
CID 21259645
2-hydroxytetradecyl-dimethyl-propylazanium
CID 157339013
11-[2-hydroxytetradecyl(dimethyl)azaniumyl]undecanoate
CID 88683102
ethyl-(2-hydroxypentadecyl)-dimethylazanium
CID 141451685
2-carboxyethyl-(2-hydroxyhenicosyl)-dimethylazanium
CID 88681848
[4-[dimethyl(tetradecyl)azaniumyl]-2,3-dihydroxybutyl]-dimethyl-tetradecylazanium
CID 101147257
(3-bromo-2-hydroxypropyl)-dimethyl-octadecylazanium chloride
CID 88963062
3-[dimethyl(pentadecyl)azaniumyl]-2-hydroxypropane-1-sulfonate
CID 172838787
hexadecyl-[3-[2-[3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium
CID 175685376
hexadecyl-[3-[2-[2-[3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium
CID 175685678
dodecyl-[3-[2-[3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium dibromide
CID 175684984

Frequently Asked Questions

What is the IUPAC name of decyl-(2-hydroxydodecyl)-dimethylazanium?
The IUPAC name of decyl-(2-hydroxydodecyl)-dimethylazanium (CID 10072473) is decyl-(2-hydroxydodecyl)-dimethylazanium.
What is the SMILES notation for decyl-(2-hydroxydodecyl)-dimethylazanium?
The canonical SMILES for decyl-(2-hydroxydodecyl)-dimethylazanium is CCCCCCCCCCC(O)C[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-(2-hydroxydodecyl)-dimethylazanium?
The InChIKey is FNTJZHKAFSVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO/c1-5-7-9-11-13-15-17-19-21-24(26)23-25(3,4)22-20-18-16-14-12-10-8-6-2/h24,26H,5-23H2,1-4H3/q+1.
What are the key properties of decyl-(2-hydroxydodecyl)-dimethylazanium?
decyl-(2-hydroxydodecyl)-dimethylazanium has a molecular weight of 370.69 g/mol, XLogP of 7.10, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(2-hydroxydodecyl)-dimethylazanium is sourced from PubChem (CID 10072473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).