3-trimethylsilyl-2H-furan-5-one

C7H12O2Si — CID 15254010

IUPAC3-trimethylsilyl-2H-furan-5-one
SMILESC[Si](C)(C)C1=CC(=O)OC1
InChIInChI=1S/C7H12O2Si/c1-10(2,3)6-4-7(8)9-5-6/h4H,5H2,1-3H3
InChIKeyPSQKKOTYYSXQNT-UHFFFAOYSA-N
MW156.26 g/mol
LogP1.35
Rot. Bonds1

About 3-trimethylsilyl-2H-furan-5-one

3-trimethylsilyl-2H-furan-5-one (PubChem CID 15254010) has the molecular formula C7H12O2Si and a molecular weight of 156.26 g/mol. Its IUPAC name is 3-trimethylsilyl-2H-furan-5-one.

Molecular Properties

Compound Name3-trimethylsilyl-2H-furan-5-one
PubChem CID15254010
Molecular FormulaC7H12O2Si
Molecular Weight156.26 g/mol
Exact Mass156.06
IUPAC Name3-trimethylsilyl-2H-furan-5-one
SMILESC[Si](C)(C)C1=CC(=O)OC1
InChIInChI=1S/C7H12O2Si/c1-10(2,3)6-4-7(8)9-5-6/h4H,5H2,1-3H3
InChIKeyPSQKKOTYYSXQNT-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-trimethylsilyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyl-2H-furan-5-one?
The IUPAC name of 3-trimethylsilyl-2H-furan-5-one (CID 15254010) is 3-trimethylsilyl-2H-furan-5-one.
What is the SMILES notation for 3-trimethylsilyl-2H-furan-5-one?
The canonical SMILES for 3-trimethylsilyl-2H-furan-5-one is C[Si](C)(C)C1=CC(=O)OC1.
What is the InChIKey of 3-trimethylsilyl-2H-furan-5-one?
The InChIKey is PSQKKOTYYSXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2Si/c1-10(2,3)6-4-7(8)9-5-6/h4H,5H2,1-3H3.
What are the key properties of 3-trimethylsilyl-2H-furan-5-one?
3-trimethylsilyl-2H-furan-5-one has a molecular weight of 156.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl-2H-furan-5-one is sourced from PubChem (CID 15254010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).