1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one

C10H18OSi — CID 12929564

IUPAC1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one
SMILESCC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H18OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h1-6H3
InChIKeyJGEFJESIDXRLLZ-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.63
Rot. Bonds1

About 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one

1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one (PubChem CID 12929564) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one
PubChem CID12929564
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one
SMILESCC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H18OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h1-6H3
InChIKeyJGEFJESIDXRLLZ-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one (CID 12929564) is 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one is CC#CC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one?
The InChIKey is JGEFJESIDXRLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one?
1-[tert-butyl(dimethyl)silyl]but-2-yn-1-one has a molecular weight of 182.34 g/mol, XLogP of 2.63, 1 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]but-2-yn-1-one is sourced from PubChem (CID 12929564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).