2-ethoxy-1-icosyl-2-methoxyazasilolidine

C26H55NO2Si — CID 150681754

IUPAC2-ethoxy-1-icosyl-2-methoxyazasilolidine
SMILESCCCCCCCCCCCCCCCCCCCCN1CCC[Si]1(OC)OCC
InChIInChI=1S/C26H55NO2Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-30(27,28-3)29-5-2/h4-26H2,1-3H3
InChIKeyJIABMHAWSINFMU-UHFFFAOYSA-N
MW441.82 g/mol
LogP8.36
Rot. Bonds22

About 2-ethoxy-1-icosyl-2-methoxyazasilolidine

2-ethoxy-1-icosyl-2-methoxyazasilolidine (PubChem CID 150681754) has the molecular formula C26H55NO2Si and a molecular weight of 441.82 g/mol. Its IUPAC name is 2-ethoxy-1-icosyl-2-methoxyazasilolidine.

Molecular Properties

Compound Name2-ethoxy-1-icosyl-2-methoxyazasilolidine
PubChem CID150681754
Molecular FormulaC26H55NO2Si
Molecular Weight441.82 g/mol
Exact Mass441.40
IUPAC Name2-ethoxy-1-icosyl-2-methoxyazasilolidine
SMILESCCCCCCCCCCCCCCCCCCCCN1CCC[Si]1(OC)OCC
InChIInChI=1S/C26H55NO2Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-30(27,28-3)29-5-2/h4-26H2,1-3H3
InChIKeyJIABMHAWSINFMU-UHFFFAOYSA-N
XLogP8.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.82
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-methyl-1-octadecylazasilolidine
CID 150669146
6-(2,2-diethoxyazasilolidin-1-yl)hexyl-diethoxy-methylsilane
CID 175874155
1-ethyl-2,2-dimethoxyazasilolidine
CID 58590083
1-heptylazetidine
CID 134402356
1-decylpiperidine
CID 4649960
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-dodecylazepane
CID 3366129
1-octylazonane
CID 20533821
3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
CID 162724360
1-tetradecylpiperidine;hydrochloride
CID 71325293
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
CID 162323144
CID 162323144

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-icosyl-2-methoxyazasilolidine?
The IUPAC name of 2-ethoxy-1-icosyl-2-methoxyazasilolidine (CID 150681754) is 2-ethoxy-1-icosyl-2-methoxyazasilolidine.
What is the SMILES notation for 2-ethoxy-1-icosyl-2-methoxyazasilolidine?
The canonical SMILES for 2-ethoxy-1-icosyl-2-methoxyazasilolidine is CCCCCCCCCCCCCCCCCCCCN1CCC[Si]1(OC)OCC.
What is the InChIKey of 2-ethoxy-1-icosyl-2-methoxyazasilolidine?
The InChIKey is JIABMHAWSINFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO2Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-30(27,28-3)29-5-2/h4-26H2,1-3H3.
What are the key properties of 2-ethoxy-1-icosyl-2-methoxyazasilolidine?
2-ethoxy-1-icosyl-2-methoxyazasilolidine has a molecular weight of 441.82 g/mol, XLogP of 8.36, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-icosyl-2-methoxyazasilolidine is sourced from PubChem (CID 150681754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).