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

C11H24OSi — CID 11672873

IUPAC1-[tert-butyl(dimethyl)silyl]pentan-1-one
SMILESCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-8-9-10(12)13(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyXJYFLUCLXZUOBE-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.79
Rot. Bonds4

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

1-[tert-butyl(dimethyl)silyl]pentan-1-one (PubChem CID 11672873) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]pentan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]pentan-1-one
PubChem CID11672873
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]pentan-1-one
SMILESCCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-8-9-10(12)13(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyXJYFLUCLXZUOBE-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.79
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]pentan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]pentan-1-one (CID 11672873) is 1-[tert-butyl(dimethyl)silyl]pentan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]pentan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]pentan-1-one is CCCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]pentan-1-one?
The InChIKey is XJYFLUCLXZUOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-7-8-9-10(12)13(5,6)11(2,3)4/h7-9H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]pentan-1-one?
1-[tert-butyl(dimethyl)silyl]pentan-1-one has a molecular weight of 200.40 g/mol, XLogP of 3.79, 4 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]pentan-1-one is sourced from PubChem (CID 11672873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).