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

C9H16OSi — CID 12929563

IUPAC1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one
SMILESC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H16OSi/c1-7-8(10)11(5,6)9(2,3)4/h1H,2-6H3
InChIKeyLMMORNJSVUTTGK-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.24
Rot. Bonds1

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

1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one (PubChem CID 12929563) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one
PubChem CID12929563
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one
SMILESC#CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H16OSi/c1-7-8(10)11(5,6)9(2,3)4/h1H,2-6H3
InChIKeyLMMORNJSVUTTGK-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.24
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]prop-2-yn-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one (CID 12929563) is 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one is C#CC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one?
The InChIKey is LMMORNJSVUTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-7-8(10)11(5,6)9(2,3)4/h1H,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one?
1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-one has a molecular weight of 168.31 g/mol, XLogP of 2.24, 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]prop-2-yn-1-one is sourced from PubChem (CID 12929563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).