4-trimethylsilyloxycyclohexan-1-one

C9H18O2Si — CID 53439909

IUPAC4-trimethylsilyloxycyclohexan-1-one
SMILESC[Si](C)(C)OC1CCC(=O)CC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3
InChIKeyNOBZSTTYLAROLJ-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.35
Rot. Bonds2

About 4-trimethylsilyloxycyclohexan-1-one

4-trimethylsilyloxycyclohexan-1-one (PubChem CID 53439909) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-trimethylsilyloxycyclohexan-1-one
PubChem CID53439909
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name4-trimethylsilyloxycyclohexan-1-one
SMILESC[Si](C)(C)OC1CCC(=O)CC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3
InChIKeyNOBZSTTYLAROLJ-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-trimethylsilyloxycyclohexan-1-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-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of 4-trimethylsilyloxycyclohexan-1-one (CID 53439909) is 4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for 4-trimethylsilyloxycyclohexan-1-one is C[Si](C)(C)OC1CCC(=O)CC1.
What is the InChIKey of 4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is NOBZSTTYLAROLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2,3)11-9-6-4-8(10)5-7-9/h9H,4-7H2,1-3H3.
What are the key properties of 4-trimethylsilyloxycyclohexan-1-one?
4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 186.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 53439909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).