1-[tert-butyl(dimethyl)silyl]propan-1-one

C9H20OSi — CID 13446384

IUPAC1-[tert-butyl(dimethyl)silyl]propan-1-one
SMILESCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7H2,1-6H3
InChIKeyGWFVOPGYICIVMN-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.01
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]propan-1-one

1-[tert-butyl(dimethyl)silyl]propan-1-one (PubChem CID 13446384) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]propan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]propan-1-one
PubChem CID13446384
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]propan-1-one
SMILESCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7H2,1-6H3
InChIKeyGWFVOPGYICIVMN-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]propan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]propan-1-one (CID 13446384) is 1-[tert-butyl(dimethyl)silyl]propan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]propan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]propan-1-one is CCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]propan-1-one?
The InChIKey is GWFVOPGYICIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]propan-1-one?
1-[tert-butyl(dimethyl)silyl]propan-1-one has a molecular weight of 172.34 g/mol, XLogP of 3.01, 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]propan-1-one is sourced from PubChem (CID 13446384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).