4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one

C9H18O3Si — CID 528665

IUPAC4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one
SMILESCC1(C)COC(=O)C1O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-9(2)6-11-8(10)7(9)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyFHABWLGAZORNTC-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.79
Rot. Bonds2

About 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one

4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one (PubChem CID 528665) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one
PubChem CID528665
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one
SMILESCC1(C)COC(=O)C1O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-9(2)6-11-8(10)7(9)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyFHABWLGAZORNTC-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-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 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one?
The IUPAC name of 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one (CID 528665) is 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one.
What is the SMILES notation for 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one?
The canonical SMILES for 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one is CC1(C)COC(=O)C1O[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one?
The InChIKey is FHABWLGAZORNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-9(2)6-11-8(10)7(9)12-13(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one?
4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one has a molecular weight of 202.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-trimethylsilyloxyoxolan-2-one is sourced from PubChem (CID 528665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).