2-methyl-2-triethylsilyloxycyclohexan-1-one

C13H26O2Si — CID 23213070

IUPAC2-methyl-2-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1(C)CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)15-13(4)11-9-8-10-12(13)14/h5-11H2,1-4H3
InChIKeyGHFFDYGVFYBRGC-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-2-triethylsilyloxycyclohexan-1-one

2-methyl-2-triethylsilyloxycyclohexan-1-one (PubChem CID 23213070) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-methyl-2-triethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-2-triethylsilyloxycyclohexan-1-one
PubChem CID23213070
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-methyl-2-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1(C)CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)15-13(4)11-9-8-10-12(13)14/h5-11H2,1-4H3
InChIKeyGHFFDYGVFYBRGC-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-triethylsilyloxycyclohexan-1-one?
The IUPAC name of 2-methyl-2-triethylsilyloxycyclohexan-1-one (CID 23213070) is 2-methyl-2-triethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 2-methyl-2-triethylsilyloxycyclohexan-1-one?
The canonical SMILES for 2-methyl-2-triethylsilyloxycyclohexan-1-one is CC[Si](CC)(CC)OC1(C)CCCCC1=O.
What is the InChIKey of 2-methyl-2-triethylsilyloxycyclohexan-1-one?
The InChIKey is GHFFDYGVFYBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-5-16(6-2,7-3)15-13(4)11-9-8-10-12(13)14/h5-11H2,1-4H3.
What are the key properties of 2-methyl-2-triethylsilyloxycyclohexan-1-one?
2-methyl-2-triethylsilyloxycyclohexan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-triethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 23213070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).