hydroxy-dimethyl-octadecylazanium hydroxide

C20H45NO2 — CID 139772700

IUPAChydroxy-dimethyl-octadecylazanium hydroxide
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)O.[OH-]
InChIInChI=1S/C20H44NO.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22;/h22H,4-20H2,1-3H3;1H2/q+1;/p-1
InChIKeyVVFLZAXACWYCNL-UHFFFAOYSA-M
MW331.59 g/mol
LogP6.54
Rot. Bonds17

About hydroxy-dimethyl-octadecylazanium hydroxide

hydroxy-dimethyl-octadecylazanium hydroxide (PubChem CID 139772700) has the molecular formula C20H45NO2 and a molecular weight of 331.59 g/mol. Its IUPAC name is hydroxy-dimethyl-octadecylazanium hydroxide.

Molecular Properties

Compound Namehydroxy-dimethyl-octadecylazanium hydroxide
PubChem CID139772700
Molecular FormulaC20H45NO2
Molecular Weight331.59 g/mol
Exact Mass331.35
IUPAC Namehydroxy-dimethyl-octadecylazanium hydroxide
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)O.[OH-]
InChIInChI=1S/C20H44NO.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22;/h22H,4-20H2,1-3H3;1H2/q+1;/p-1
InChIKeyVVFLZAXACWYCNL-UHFFFAOYSA-M
XLogP6.54
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dimethyl-tetracosylazanium chloride
CID 158718920
N,N-dimethylheptadecan-1-amine;heptadecyl-hydroxy-dimethylazanium;hydrogen peroxide
CID 160682136
didecyl-hydroxy-methylazanium chloride
CID 175336679
icosyl(trimethyl)azanium hydroxide
CID 21324498
hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
trihydroxy(tetracosyl)azanium
CID 175938405
triheptyl(methyl)azanium hydroxide
CID 87534234
didecyl(dimethyl)azanium hydroxide
CID 11595363
tetraoctylazanium hydroxide
CID 10994503
dihexyl-methyl-pentylazanium
CID 23534989
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-octadecylazanium hydroxide?
The IUPAC name of hydroxy-dimethyl-octadecylazanium hydroxide (CID 139772700) is hydroxy-dimethyl-octadecylazanium hydroxide.
What is the SMILES notation for hydroxy-dimethyl-octadecylazanium hydroxide?
The canonical SMILES for hydroxy-dimethyl-octadecylazanium hydroxide is CCCCCCCCCCCCCCCCCC[N+](C)(C)O.[OH-].
What is the InChIKey of hydroxy-dimethyl-octadecylazanium hydroxide?
The InChIKey is VVFLZAXACWYCNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44NO.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22;/h22H,4-20H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of hydroxy-dimethyl-octadecylazanium hydroxide?
hydroxy-dimethyl-octadecylazanium hydroxide has a molecular weight of 331.59 g/mol, XLogP of 6.54, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-octadecylazanium hydroxide is sourced from PubChem (CID 139772700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).