1-trimethylsilyloxypentan-2-one

C8H18O2Si — CID 18622774

IUPAC1-trimethylsilyloxypentan-2-one
SMILESCCCC(=O)CO[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-8(9)7-10-11(2,3)4/h5-7H2,1-4H3
InChIKeyUSTBDZKCUBAEHQ-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.21
Rot. Bonds5

About 1-trimethylsilyloxypentan-2-one

1-trimethylsilyloxypentan-2-one (PubChem CID 18622774) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 1-trimethylsilyloxypentan-2-one.

Molecular Properties

Compound Name1-trimethylsilyloxypentan-2-one
PubChem CID18622774
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name1-trimethylsilyloxypentan-2-one
SMILESCCCC(=O)CO[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-8(9)7-10-11(2,3)4/h5-7H2,1-4H3
InChIKeyUSTBDZKCUBAEHQ-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-triphenylsilyloxypentan-2-one
CID 18622623
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
7-trimethylsilyloxyheptan-3-one
CID 18622779
trimethylsilyl 2-oxopentanoate
CID 530075
butyl 2-trimethylsilyloxyethyl carbonate
CID 155712714
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
1-cyclobutyloxypentan-2-one
CID 62142575
1-(4-propylphenoxy)pentan-2-one
CID 62549961
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
tridecane-4,10-dione
CID 158766358
hexan-3-one
CID 135973484
1-[2-(2-methylpropoxy)ethoxy]pentan-2-one
CID 106448350

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxypentan-2-one?
The IUPAC name of 1-trimethylsilyloxypentan-2-one (CID 18622774) is 1-trimethylsilyloxypentan-2-one.
What is the SMILES notation for 1-trimethylsilyloxypentan-2-one?
The canonical SMILES for 1-trimethylsilyloxypentan-2-one is CCCC(=O)CO[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloxypentan-2-one?
The InChIKey is USTBDZKCUBAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-6-8(9)7-10-11(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-trimethylsilyloxypentan-2-one?
1-trimethylsilyloxypentan-2-one has a molecular weight of 174.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxypentan-2-one is sourced from PubChem (CID 18622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).