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

C15H34INO2Si — CID 3069369

IUPAC2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide
SMILESCC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O.[I-]
InChIInChI=1S/C15H34NO2Si.HI/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17;/h7-14H2,1-6H3;1H/q+1;/p-1
InChIKeyBSFRPBYRIQHDGS-UHFFFAOYSA-M
MW415.43 g/mol
LogP0.53
Rot. Bonds10

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

2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide (PubChem CID 3069369) has the molecular formula C15H34INO2Si and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide.

Molecular Properties

Compound Name2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide
PubChem CID3069369
Molecular FormulaC15H34INO2Si
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide
SMILESCC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O.[I-]
InChIInChI=1S/C15H34NO2Si.HI/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17;/h7-14H2,1-6H3;1H/q+1;/p-1
InChIKeyBSFRPBYRIQHDGS-UHFFFAOYSA-M
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxyethyl-dimethyl-pentylazanium
CID 71364720
2-acetyloxyethyl-[10-[2-acetyloxyethyl(dimethyl)azaniumyl]decyl]-dimethylazanium bromide
CID 54611939
2-acetyloxyethyl-dimethyl-tetradecylazanium bromide
CID 14625468
2-acetyloxyethyl-dimethyl-(3-sulfopropyl)azanium
CID 58841216
dimethyl-(3-triethylsilylpropyl)-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium
CID 3069374
4-(2-triethylsilylethoxy)butyl acetate
CID 18469580
2-acetyloxyethyl-(formamidomethyl)-dimethylazanium
CID 142642957
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxycarbonyloxy]ethyl]-dimethylazanium
CID 102200373
2-acetyloxyethyl-dimethyl-prop-2-ynylazanium
CID 546954
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide?
The IUPAC name of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide (CID 3069369) is 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide.
What is the SMILES notation for 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide?
The canonical SMILES for 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide is CC[Si](CC)(CC)CCC[N+](C)(C)CCOC(C)=O.[I-].
What is the InChIKey of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide?
The InChIKey is BSFRPBYRIQHDGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34NO2Si.HI/c1-7-19(8-2,9-3)14-10-11-16(5,6)12-13-18-15(4)17;/h7-14H2,1-6H3;1H/q+1;/p-1.
What are the key properties of 2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide?
2-acetyloxyethyl-dimethyl-(3-triethylsilylpropyl)azanium iodide has a molecular weight of 415.43 g/mol, XLogP of 0.53, 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 iodide is sourced from PubChem (CID 3069369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).