2-[tert-butyl(dimethyl)silyl]ethenone

C8H16OSi — CID 11768821

IUPAC2-[tert-butyl(dimethyl)silyl]ethenone
SMILESCC(C)(C)[Si](C)(C)C=C=O
InChIInChI=1S/C8H16OSi/c1-8(2,3)10(4,5)7-6-9/h7H,1-5H3
InChIKeyITNLQTAWHIIIEG-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.42
Rot. Bonds1

About 2-[tert-butyl(dimethyl)silyl]ethenone

2-[tert-butyl(dimethyl)silyl]ethenone (PubChem CID 11768821) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]ethenone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]ethenone
PubChem CID11768821
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name2-[tert-butyl(dimethyl)silyl]ethenone
SMILESCC(C)(C)[Si](C)(C)C=C=O
InChIInChI=1S/C8H16OSi/c1-8(2,3)10(4,5)7-6-9/h7H,1-5H3
InChIKeyITNLQTAWHIIIEG-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]ethenone (CID 11768821) is 2-[tert-butyl(dimethyl)silyl]ethenone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]ethenone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]ethenone is CC(C)(C)[Si](C)(C)C=C=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]ethenone?
The InChIKey is ITNLQTAWHIIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-8(2,3)10(4,5)7-6-9/h7H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]ethenone?
2-[tert-butyl(dimethyl)silyl]ethenone has a molecular weight of 156.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]ethenone is sourced from PubChem (CID 11768821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).