[chloro(ethyl)silyl] acetate

C4H9ClO2Si — CID 173076659

IUPAC[chloro(ethyl)silyl] acetate
SMILESCC[SiH](Cl)OC(C)=O
InChIInChI=1S/C4H9ClO2Si/c1-3-8(5)7-4(2)6/h8H,3H2,1-2H3
InChIKeyWQYMYBIUORKCDF-UHFFFAOYSA-N
MW152.65 g/mol
LogP1.03
Rot. Bonds2

About [chloro(ethyl)silyl] acetate

[chloro(ethyl)silyl] acetate (PubChem CID 173076659) has the molecular formula C4H9ClO2Si and a molecular weight of 152.65 g/mol. Its IUPAC name is [chloro(ethyl)silyl] acetate.

Molecular Properties

Compound Name[chloro(ethyl)silyl] acetate
PubChem CID173076659
Molecular FormulaC4H9ClO2Si
Molecular Weight152.65 g/mol
Exact Mass152.01
IUPAC Name[chloro(ethyl)silyl] acetate
SMILESCC[SiH](Cl)OC(C)=O
InChIInChI=1S/C4H9ClO2Si/c1-3-8(5)7-4(2)6/h8H,3H2,1-2H3
InChIKeyWQYMYBIUORKCDF-UHFFFAOYSA-N
XLogP1.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.65
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[methyl(propyl)silyl] acetate
CID 154069177
[[ethoxy(methyl)silyl]-methylsilyl] acetate
CID 123197355
diacetyloxysilyl acetate;triethyl(methyl)azanium
CID 173168516
1-dichlorosilylethyl acetate
CID 173076621
[acetyloxy(2-aminoethyl)silyl] acetate
CID 173167908
diacetyloxysilyl acetate;N-methylmethanamine
CID 173168005
(dichloromethane);ethyl acetate
CID 173005314
chlorosulfanium;ethyl acetate
CID 22238075
[acetyloxy(ethyl)alumanyl] acetate
CID 139645372
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
bromo-chloro-ethylsilane
CID 154140952
dichloromethane;ethane;ethyl acetate
CID 174366150

Frequently Asked Questions

What is the IUPAC name of [chloro(ethyl)silyl] acetate?
The IUPAC name of [chloro(ethyl)silyl] acetate (CID 173076659) is [chloro(ethyl)silyl] acetate.
What is the SMILES notation for [chloro(ethyl)silyl] acetate?
The canonical SMILES for [chloro(ethyl)silyl] acetate is CC[SiH](Cl)OC(C)=O.
What is the InChIKey of [chloro(ethyl)silyl] acetate?
The InChIKey is WQYMYBIUORKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2Si/c1-3-8(5)7-4(2)6/h8H,3H2,1-2H3.
What are the key properties of [chloro(ethyl)silyl] acetate?
[chloro(ethyl)silyl] acetate has a molecular weight of 152.65 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(ethyl)silyl] acetate is sourced from PubChem (CID 173076659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).