4-triethylsilyloxycyclohexan-1-one

C12H24O2Si — CID 57422008

IUPAC4-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-4-15(5-2,6-3)14-12-9-7-11(13)8-10-12/h12H,4-10H2,1-3H3
InChIKeyKWQZDWYVRNCQFD-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.52
Rot. Bonds5

About 4-triethylsilyloxycyclohexan-1-one

4-triethylsilyloxycyclohexan-1-one (PubChem CID 57422008) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-triethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-triethylsilyloxycyclohexan-1-one
PubChem CID57422008
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-triethylsilyloxycyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-4-15(5-2,6-3)14-12-9-7-11(13)8-10-12/h12H,4-10H2,1-3H3
InChIKeyKWQZDWYVRNCQFD-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.52
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 4-triethylsilyloxycyclohexan-1-one?
The IUPAC name of 4-triethylsilyloxycyclohexan-1-one (CID 57422008) is 4-triethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 4-triethylsilyloxycyclohexan-1-one?
The canonical SMILES for 4-triethylsilyloxycyclohexan-1-one is CC[Si](CC)(CC)OC1CCC(=O)CC1.
What is the InChIKey of 4-triethylsilyloxycyclohexan-1-one?
The InChIKey is KWQZDWYVRNCQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-4-15(5-2,6-3)14-12-9-7-11(13)8-10-12/h12H,4-10H2,1-3H3.
What are the key properties of 4-triethylsilyloxycyclohexan-1-one?
4-triethylsilyloxycyclohexan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 57422008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).