1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one

C10H20OSi — CID 13446370

IUPAC1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-8(2)9(11)12(6,7)10(3,4)5/h1H2,2-7H3
InChIKeyVBCYSOCSSWESJL-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.18
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one

1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one (PubChem CID 13446370) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one
PubChem CID13446370
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-8(2)9(11)12(6,7)10(3,4)5/h1H2,2-7H3
InChIKeyVBCYSOCSSWESJL-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one (CID 13446370) is 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one is C=C(C)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one?
The InChIKey is VBCYSOCSSWESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-8(2)9(11)12(6,7)10(3,4)5/h1H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one?
1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one has a molecular weight of 184.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 13446370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).