3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one

C12H23FO2Si — CID 178039181

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CC(=O)C1F
InChIInChI=1S/C12H23FO2Si/c1-11(2,3)16(5,6)15-8-12(4)7-9(14)10(12)13/h10H,7-8H2,1-6H3
InChIKeyNWMRXJBBJRYWDY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.33
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one (PubChem CID 178039181) has the molecular formula C12H23FO2Si and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one
PubChem CID178039181
Molecular FormulaC12H23FO2Si
Molecular Weight246.40 g/mol
Exact Mass246.15
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CC(=O)C1F
InChIInChI=1S/C12H23FO2Si/c1-11(2,3)16(5,6)15-8-12(4)7-9(14)10(12)13/h10H,7-8H2,1-6H3
InChIKeyNWMRXJBBJRYWDY-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one (CID 178039181) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one is CC1(CO[Si](C)(C)C(C)(C)C)CC(=O)C1F.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one?
The InChIKey is NWMRXJBBJRYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2Si/c1-11(2,3)16(5,6)15-8-12(4)7-9(14)10(12)13/h10H,7-8H2,1-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one has a molecular weight of 246.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-3-methylcyclobutan-1-one is sourced from PubChem (CID 178039181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).