diacetyloxysilyl acetate;triethyl(methyl)azanium

C13H28NO6Si+ — CID 173168516

IUPACdiacetyloxysilyl acetate;triethyl(methyl)azanium
SMILESCC(=O)O[SiH](OC(C)=O)OC(C)=O.CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C6H10O6Si/c1-5-8(4,6-2)7-3;1-4(7)10-13(11-5(2)8)12-6(3)9/h5-7H2,1-4H3;13H,1-3H3/q+1;
InChIKeyBRYGMXUOANEIFR-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.89
Rot. Bonds6

About diacetyloxysilyl acetate;triethyl(methyl)azanium

diacetyloxysilyl acetate;triethyl(methyl)azanium (PubChem CID 173168516) has the molecular formula C13H28NO6Si+ and a molecular weight of 322.45 g/mol. Its IUPAC name is diacetyloxysilyl acetate;triethyl(methyl)azanium.

Molecular Properties

Compound Namediacetyloxysilyl acetate;triethyl(methyl)azanium
PubChem CID173168516
Molecular FormulaC13H28NO6Si+
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Namediacetyloxysilyl acetate;triethyl(methyl)azanium
SMILESCC(=O)O[SiH](OC(C)=O)OC(C)=O.CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C6H10O6Si/c1-5-8(4,6-2)7-3;1-4(7)10-13(11-5(2)8)12-6(3)9/h5-7H2,1-4H3;13H,1-3H3/q+1;
InChIKeyBRYGMXUOANEIFR-UHFFFAOYSA-N
XLogP0.89
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diacetyloxysilyl acetate;N-methylmethanamine
CID 173168005
[acetyloxy(trimethylsilyloxy)silyl] acetate
CID 123623987
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
acetyloxy-ethyl-dimethylazanium
CID 147551932
[chloro(ethyl)silyl] acetate
CID 173076659
(Z)-but-2-enedioate;bis(triethyl(methyl)azanium)
CID 86743662
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
[methyl(propyl)silyl] acetate
CID 154069177
perchloric acid;triethyl(methyl)azanium
CID 87764447
[acetyloxy(ethyl)alumanyl] acetate
CID 139645372
[2-(chloromethoxy)-2-oxoacetyl]oxyboronic acid;triethyl(methyl)azanium
CID 175155453
2,2-dichloropropanedioate;bis(triethyl(methyl)azanium)
CID 175220042

Frequently Asked Questions

What is the IUPAC name of diacetyloxysilyl acetate;triethyl(methyl)azanium?
The IUPAC name of diacetyloxysilyl acetate;triethyl(methyl)azanium (CID 173168516) is diacetyloxysilyl acetate;triethyl(methyl)azanium.
What is the SMILES notation for diacetyloxysilyl acetate;triethyl(methyl)azanium?
The canonical SMILES for diacetyloxysilyl acetate;triethyl(methyl)azanium is CC(=O)O[SiH](OC(C)=O)OC(C)=O.CC[N+](C)(CC)CC.
What is the InChIKey of diacetyloxysilyl acetate;triethyl(methyl)azanium?
The InChIKey is BRYGMXUOANEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.C6H10O6Si/c1-5-8(4,6-2)7-3;1-4(7)10-13(11-5(2)8)12-6(3)9/h5-7H2,1-4H3;13H,1-3H3/q+1;.
What are the key properties of diacetyloxysilyl acetate;triethyl(methyl)azanium?
diacetyloxysilyl acetate;triethyl(methyl)azanium has a molecular weight of 322.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxysilyl acetate;triethyl(methyl)azanium is sourced from PubChem (CID 173168516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).