2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane

C14H30O3Si — CID 87176343

IUPAC2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane
SMILESCC(C)(C)[Si](C)(C)C=C=O.CCOC(C)OCC
InChIInChI=1S/C8H16OSi.C6H14O2/c1-8(2,3)10(4,5)7-6-9;1-4-7-6(3)8-5-2/h7H,1-5H3;6H,4-5H2,1-3H3
InChIKeyHJDYESWOMKTJSE-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.83
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane

2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane (PubChem CID 87176343) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane
PubChem CID87176343
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane
SMILESCC(C)(C)[Si](C)(C)C=C=O.CCOC(C)OCC
InChIInChI=1S/C8H16OSi.C6H14O2/c1-8(2,3)10(4,5)7-6-9;1-4-7-6(3)8-5-2/h7H,1-5H3;6H,4-5H2,1-3H3
InChIKeyHJDYESWOMKTJSE-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.83
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'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane (CID 87176343) is 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane is CC(C)(C)[Si](C)(C)C=C=O.CCOC(C)OCC.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane?
The InChIKey is HJDYESWOMKTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi.C6H14O2/c1-8(2,3)10(4,5)7-6-9;1-4-7-6(3)8-5-2/h7H,1-5H3;6H,4-5H2,1-3H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane?
2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane has a molecular weight of 274.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]ethenone;1,1-diethoxyethane is sourced from PubChem (CID 87176343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).