decyl-(6-hydroxyhexyl)-dimethylazanium chloride

C18H40ClNO — CID 167454737

IUPACdecyl-(6-hydroxyhexyl)-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCO.[Cl-]
InChIInChI=1S/C18H40NO.ClH/c1-4-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyFFJMJQCMETZKQM-UHFFFAOYSA-M
MW321.98 g/mol
LogP1.76
Rot. Bonds15

About decyl-(6-hydroxyhexyl)-dimethylazanium chloride

decyl-(6-hydroxyhexyl)-dimethylazanium chloride (PubChem CID 167454737) has the molecular formula C18H40ClNO and a molecular weight of 321.98 g/mol. Its IUPAC name is decyl-(6-hydroxyhexyl)-dimethylazanium chloride.

Molecular Properties

Compound Namedecyl-(6-hydroxyhexyl)-dimethylazanium chloride
PubChem CID167454737
Molecular FormulaC18H40ClNO
Molecular Weight321.98 g/mol
Exact Mass321.28
IUPAC Namedecyl-(6-hydroxyhexyl)-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCO.[Cl-]
InChIInChI=1S/C18H40NO.ClH/c1-4-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyFFJMJQCMETZKQM-UHFFFAOYSA-M
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.98
LogP ≤ 51.76
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

16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
decyl-hexyl-dimethylazanium chloride
CID 19369138
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
4-hydroxybutyl-methyl-octyl-pentylazanium chloride
CID 139955755
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of decyl-(6-hydroxyhexyl)-dimethylazanium chloride?
The IUPAC name of decyl-(6-hydroxyhexyl)-dimethylazanium chloride (CID 167454737) is decyl-(6-hydroxyhexyl)-dimethylazanium chloride.
What is the SMILES notation for decyl-(6-hydroxyhexyl)-dimethylazanium chloride?
The canonical SMILES for decyl-(6-hydroxyhexyl)-dimethylazanium chloride is CCCCCCCCCC[N+](C)(C)CCCCCCO.[Cl-].
What is the InChIKey of decyl-(6-hydroxyhexyl)-dimethylazanium chloride?
The InChIKey is FFJMJQCMETZKQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40NO.ClH/c1-4-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of decyl-(6-hydroxyhexyl)-dimethylazanium chloride?
decyl-(6-hydroxyhexyl)-dimethylazanium chloride has a molecular weight of 321.98 g/mol, XLogP of 1.76, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(6-hydroxyhexyl)-dimethylazanium chloride is sourced from PubChem (CID 167454737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).