2-methyl-4-trimethylsilyloxypentan-3-one

C9H20O2Si — CID 20775521

IUPAC2-methyl-4-trimethylsilyloxypentan-3-one
SMILESCC(C)C(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)9(10)8(3)11-12(4,5)6/h7-8H,1-6H3
InChIKeyMIMKNUUUKXNMQZ-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-4-trimethylsilyloxypentan-3-one

2-methyl-4-trimethylsilyloxypentan-3-one (PubChem CID 20775521) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilyloxypentan-3-one.

Molecular Properties

Compound Name2-methyl-4-trimethylsilyloxypentan-3-one
PubChem CID20775521
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-methyl-4-trimethylsilyloxypentan-3-one
SMILESCC(C)C(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)9(10)8(3)11-12(4,5)6/h7-8H,1-6H3
InChIKeyMIMKNUUUKXNMQZ-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-trimethylsilyloxypentan-3-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 2-methyl-4-trimethylsilyloxypentan-3-one?
The IUPAC name of 2-methyl-4-trimethylsilyloxypentan-3-one (CID 20775521) is 2-methyl-4-trimethylsilyloxypentan-3-one.
What is the SMILES notation for 2-methyl-4-trimethylsilyloxypentan-3-one?
The canonical SMILES for 2-methyl-4-trimethylsilyloxypentan-3-one is CC(C)C(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-trimethylsilyloxypentan-3-one?
The InChIKey is MIMKNUUUKXNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7(2)9(10)8(3)11-12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2-methyl-4-trimethylsilyloxypentan-3-one?
2-methyl-4-trimethylsilyloxypentan-3-one has a molecular weight of 188.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilyloxypentan-3-one is sourced from PubChem (CID 20775521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).