5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one

C11H19FO3Si — CID 70977585

IUPAC5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one
SMILESCC(C)C[Si](C)(C)OCC1(F)C=CC(=O)O1
InChIInChI=1S/C11H19FO3Si/c1-9(2)7-16(3,4)14-8-11(12)6-5-10(13)15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyOVVXFORHZSJZQY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.64
Rot. Bonds5

About 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one

5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one (PubChem CID 70977585) has the molecular formula C11H19FO3Si and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one.

Molecular Properties

Compound Name5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one
PubChem CID70977585
Molecular FormulaC11H19FO3Si
Molecular Weight246.35 g/mol
Exact Mass246.11
IUPAC Name5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one
SMILESCC(C)C[Si](C)(C)OCC1(F)C=CC(=O)O1
InChIInChI=1S/C11H19FO3Si/c1-9(2)7-16(3,4)14-8-11(12)6-5-10(13)15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyOVVXFORHZSJZQY-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one?
The IUPAC name of 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one (CID 70977585) is 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one.
What is the SMILES notation for 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one?
The canonical SMILES for 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one is CC(C)C[Si](C)(C)OCC1(F)C=CC(=O)O1.
What is the InChIKey of 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one?
The InChIKey is OVVXFORHZSJZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO3Si/c1-9(2)7-16(3,4)14-8-11(12)6-5-10(13)15-11/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one?
5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one is sourced from PubChem (CID 70977585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).