dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride

C26H58ClNSi — CID 175158999

IUPACdimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C(CC)[Si](C)(C)C.[Cl-]
InChIInChI=1S/C26H58NSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(3,4)26(9-2)28(5,6)7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1
InChIKeyBRRYYRLXVPMSIO-UHFFFAOYSA-M
MW448.30 g/mol
LogP5.98
Rot. Bonds20

About dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride

dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride (PubChem CID 175158999) has the molecular formula C26H58ClNSi and a molecular weight of 448.30 g/mol. Its IUPAC name is dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride
PubChem CID175158999
Molecular FormulaC26H58ClNSi
Molecular Weight448.30 g/mol
Exact Mass447.40
IUPAC Namedimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C(CC)[Si](C)(C)C.[Cl-]
InChIInChI=1S/C26H58NSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(3,4)26(9-2)28(5,6)7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1
InChIKeyBRRYYRLXVPMSIO-UHFFFAOYSA-M
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
CID 175037692
dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314
1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
1-aminopropyl-dimethyl-octadecylazanium bromide
CID 175462050
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
4-hydroxybutyl-methyl-octyl-pentylazanium chloride
CID 139955755
3-hydroxypropyl-methyl-di(nonyl)azanium chloride
CID 139956736
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride?
The IUPAC name of dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride (CID 175158999) is dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride.
What is the SMILES notation for dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride?
The canonical SMILES for dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride is CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CC)[Si](C)(C)C.[Cl-].
What is the InChIKey of dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride?
The InChIKey is BRRYYRLXVPMSIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H58NSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(3,4)26(9-2)28(5,6)7;/h26H,8-25H2,1-7H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride?
dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride has a molecular weight of 448.30 g/mol, XLogP of 5.98, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride is sourced from PubChem (CID 175158999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).