1-silyloxyethyl acetate

C4H10O3Si — CID 174935938

IUPAC1-silyloxyethyl acetate
SMILESCC(=O)OC(C)O[SiH3]
InChIInChI=1S/C4H10O3Si/c1-3(5)6-4(2)7-8/h4H,1-2,8H3
InChIKeyYXEKETIERFFBNO-UHFFFAOYSA-N
MW134.21 g/mol
LogP-0.81
Rot. Bonds2

About 1-silyloxyethyl acetate

1-silyloxyethyl acetate (PubChem CID 174935938) has the molecular formula C4H10O3Si and a molecular weight of 134.21 g/mol. Its IUPAC name is 1-silyloxyethyl acetate.

Molecular Properties

Compound Name1-silyloxyethyl acetate
PubChem CID174935938
Molecular FormulaC4H10O3Si
Molecular Weight134.21 g/mol
Exact Mass134.04
IUPAC Name1-silyloxyethyl acetate
SMILESCC(=O)OC(C)O[SiH3]
InChIInChI=1S/C4H10O3Si/c1-3(5)6-4(2)7-8/h4H,1-2,8H3
InChIKeyYXEKETIERFFBNO-UHFFFAOYSA-N
XLogP-0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
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[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
(2S)-2-acetyloxypropanoic acid
CID 6326324
propane;propan-2-yl acetate
CID 23325886
1-cyclopentyloxyethyl acetate
CID 58944284
[(1R)-1-[(Z)-but-2-en-2-yl]oxycarbonyloxyethyl] acetate
CID 173194613

Frequently Asked Questions

What is the IUPAC name of 1-silyloxyethyl acetate?
The IUPAC name of 1-silyloxyethyl acetate (CID 174935938) is 1-silyloxyethyl acetate.
What is the SMILES notation for 1-silyloxyethyl acetate?
The canonical SMILES for 1-silyloxyethyl acetate is CC(=O)OC(C)O[SiH3].
What is the InChIKey of 1-silyloxyethyl acetate?
The InChIKey is YXEKETIERFFBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3Si/c1-3(5)6-4(2)7-8/h4H,1-2,8H3.
What are the key properties of 1-silyloxyethyl acetate?
1-silyloxyethyl acetate has a molecular weight of 134.21 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyloxyethyl acetate is sourced from PubChem (CID 174935938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).