[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium

C21H46NO2Si+ — CID 161078508

IUPAC[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
SMILESCO[Si](C)(C)CCCCCCCCCCC(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C21H46NO2Si/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-25(5,6)24-4/h7-20H2,1-6H3/q+1
InChIKeyUUQPPJGAWGAVHX-UHFFFAOYSA-N
MW372.69 g/mol
LogP5.79
Rot. Bonds17

About [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium

[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium (PubChem CID 161078508) has the molecular formula C21H46NO2Si+ and a molecular weight of 372.69 g/mol. Its IUPAC name is [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium.

Molecular Properties

Compound Name[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
PubChem CID161078508
Molecular FormulaC21H46NO2Si+
Molecular Weight372.69 g/mol
Exact Mass372.33
IUPAC Name[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
SMILESCO[Si](C)(C)CCCCCCCCCCC(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C21H46NO2Si/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-25(5,6)24-4/h7-20H2,1-6H3/q+1
InChIKeyUUQPPJGAWGAVHX-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.69
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

14-[methoxy(dimethyl)silyl]tetradecan-4-one
CID 157055533
3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide
CID 11670562
1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide
CID 158990747
(6-methoxy-6-oxohexyl)-trimethylazanium
CID 139671551
N-ethyl-11-[methoxy(dimethyl)silyl]undecanamide
CID 59782510
6-carboxyhexyl(trimethyl)azanium
CID 70691026
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
[7-(2-hydroxyethylsulfanyl)-5-oxoheptyl]-trimethylazanium
CID 159952101
hexadecyl-methoxy-dimethylsilane
CID 22228661
methoxy-dimethyl-nonylsilane
CID 58695494

Frequently Asked Questions

What is the IUPAC name of [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium?
The IUPAC name of [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium (CID 161078508) is [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium.
What is the SMILES notation for [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium?
The canonical SMILES for [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium is CO[Si](C)(C)CCCCCCCCCCC(=O)CCCC[N+](C)(C)C.
What is the InChIKey of [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium?
The InChIKey is UUQPPJGAWGAVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46NO2Si/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-25(5,6)24-4/h7-20H2,1-6H3/q+1.
What are the key properties of [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium?
[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium has a molecular weight of 372.69 g/mol, XLogP of 5.79, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium is sourced from PubChem (CID 161078508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).