dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium

C30H42NOSi+ — CID 54302893

IUPACdimethyl-octyl-(2-triphenylsilyloxyethyl)azanium
SMILESCCCCCCCC[N+](C)(C)CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42NOSi/c1-4-5-6-7-8-18-25-31(2,3)26-27-32-33(28-19-12-9-13-20-28,29-21-14-10-15-22-29)30-23-16-11-17-24-30/h9-17,19-24H,4-8,18,25-27H2,1-3H3/q+1
InChIKeySFLXDSPIQKLWID-UHFFFAOYSA-N
MW460.76 g/mol
LogP5.11
Rot. Bonds14

About dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium

dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium (PubChem CID 54302893) has the molecular formula C30H42NOSi+ and a molecular weight of 460.76 g/mol. Its IUPAC name is dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-octyl-(2-triphenylsilyloxyethyl)azanium
PubChem CID54302893
Molecular FormulaC30H42NOSi+
Molecular Weight460.76 g/mol
Exact Mass460.30
IUPAC Namedimethyl-octyl-(2-triphenylsilyloxyethyl)azanium
SMILESCCCCCCCC[N+](C)(C)CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42NOSi/c1-4-5-6-7-8-18-25-31(2,3)26-27-32-33(28-19-12-9-13-20-28,29-21-14-10-15-22-29)30-23-16-11-17-24-30/h9-17,19-24H,4-8,18,25-27H2,1-3H3/q+1
InChIKeySFLXDSPIQKLWID-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 55.11
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium?
The IUPAC name of dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium (CID 54302893) is dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium.
What is the SMILES notation for dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium?
The canonical SMILES for dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium is CCCCCCCC[N+](C)(C)CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium?
The InChIKey is SFLXDSPIQKLWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42NOSi/c1-4-5-6-7-8-18-25-31(2,3)26-27-32-33(28-19-12-9-13-20-28,29-21-14-10-15-22-29)30-23-16-11-17-24-30/h9-17,19-24H,4-8,18,25-27H2,1-3H3/q+1.
What are the key properties of dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium?
dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium has a molecular weight of 460.76 g/mol, XLogP of 5.11, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-(2-triphenylsilyloxyethyl)azanium is sourced from PubChem (CID 54302893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).