2-triethylsilylcyclohexan-1-one

C12H24OSi — CID 12700723

IUPAC2-triethylsilylcyclohexan-1-one
SMILESCC[Si](CC)(CC)C1CCCCC1=O
InChIInChI=1S/C12H24OSi/c1-4-14(5-2,6-3)12-10-8-7-9-11(12)13/h12H,4-10H2,1-3H3
InChIKeyBCIRPOVOCAIFID-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.01
Rot. Bonds4

About 2-triethylsilylcyclohexan-1-one

2-triethylsilylcyclohexan-1-one (PubChem CID 12700723) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-triethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name2-triethylsilylcyclohexan-1-one
PubChem CID12700723
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-triethylsilylcyclohexan-1-one
SMILESCC[Si](CC)(CC)C1CCCCC1=O
InChIInChI=1S/C12H24OSi/c1-4-14(5-2,6-3)12-10-8-7-9-11(12)13/h12H,4-10H2,1-3H3
InChIKeyBCIRPOVOCAIFID-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-triethylsilylcyclohexan-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 2-triethylsilylcyclohexan-1-one?
The IUPAC name of 2-triethylsilylcyclohexan-1-one (CID 12700723) is 2-triethylsilylcyclohexan-1-one.
What is the SMILES notation for 2-triethylsilylcyclohexan-1-one?
The canonical SMILES for 2-triethylsilylcyclohexan-1-one is CC[Si](CC)(CC)C1CCCCC1=O.
What is the InChIKey of 2-triethylsilylcyclohexan-1-one?
The InChIKey is BCIRPOVOCAIFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-4-14(5-2,6-3)12-10-8-7-9-11(12)13/h12H,4-10H2,1-3H3.
What are the key properties of 2-triethylsilylcyclohexan-1-one?
2-triethylsilylcyclohexan-1-one has a molecular weight of 212.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethylsilylcyclohexan-1-one is sourced from PubChem (CID 12700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).