2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium

C15H34NO2Si+ — CID 3069370

IUPAC2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium
SMILESCC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C15H34NO2Si/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17/h7-14H2,1-6H3/q+1
InChIKeyYXZOKDPVZKALCF-UHFFFAOYSA-N
MW288.53 g/mol
LogP3.52
Rot. Bonds10

About 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium

2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium (PubChem CID 3069370) has the molecular formula C15H34NO2Si+ and a molecular weight of 288.53 g/mol. Its IUPAC name is 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium.

Molecular Properties

Compound Name2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium
PubChem CID3069370
Molecular FormulaC15H34NO2Si+
Molecular Weight288.53 g/mol
Exact Mass288.24
IUPAC Name2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium
SMILESCC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C15H34NO2Si/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17/h7-14H2,1-6H3/q+1
InChIKeyYXZOKDPVZKALCF-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium?
The IUPAC name of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium (CID 3069370) is 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium.
What is the SMILES notation for 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium?
The canonical SMILES for 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium is CC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium?
The InChIKey is YXZOKDPVZKALCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO2Si/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17/h7-14H2,1-6H3/q+1.
What are the key properties of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium?
2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium has a molecular weight of 288.53 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium is sourced from PubChem (CID 3069370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).