dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride

C40H62FNOSi — CID 19839275

IUPACdimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C40H62NOSi.FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36-41(3,4)37(2)42-43(38-30-23-20-24-31-38,39-32-25-21-26-33-39)40-34-27-22-28-35-40;/h20-28,30-35,37H,5-19,29,36H2,1-4H3;1H/q+1;/p-1
InChIKeyMSHUQOZQKZOFLF-UHFFFAOYSA-M
MW620.03 g/mol
LogP6.36
Rot. Bonds23

About dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride

dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride (PubChem CID 19839275) has the molecular formula C40H62FNOSi and a molecular weight of 620.03 g/mol. Its IUPAC name is dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride.

Molecular Properties

Compound Namedimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride
PubChem CID19839275
Molecular FormulaC40H62FNOSi
Molecular Weight620.03 g/mol
Exact Mass619.46
IUPAC Namedimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C40H62NOSi.FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36-41(3,4)37(2)42-43(38-30-23-20-24-31-38,39-32-25-21-26-33-39)40-34-27-22-28-35-40;/h20-28,30-35,37H,5-19,29,36H2,1-4H3;1H/q+1;/p-1
InChIKeyMSHUQOZQKZOFLF-UHFFFAOYSA-M
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.03
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride?
The IUPAC name of dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride (CID 19839275) is dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride.
What is the SMILES notation for dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride?
The canonical SMILES for dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride is CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].
What is the InChIKey of dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride?
The InChIKey is MSHUQOZQKZOFLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H62NOSi.FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36-41(3,4)37(2)42-43(38-30-23-20-24-31-38,39-32-25-21-26-33-39)40-34-27-22-28-35-40;/h20-28,30-35,37H,5-19,29,36H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride?
dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride has a molecular weight of 620.03 g/mol, XLogP of 6.36, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-(1-triphenylsilyloxyethyl)azanium fluoride is sourced from PubChem (CID 19839275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).