6-triethylsilyloxycyclohex-2-en-1-one

C12H22O2Si — CID 139985457

IUPAC6-triethylsilyloxycyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)OC1CCC=CC1=O
InChIInChI=1S/C12H22O2Si/c1-4-15(5-2,6-3)14-12-10-8-7-9-11(12)13/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyWVSZEPWZPRBHML-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds5

About 6-triethylsilyloxycyclohex-2-en-1-one

6-triethylsilyloxycyclohex-2-en-1-one (PubChem CID 139985457) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-triethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-triethylsilyloxycyclohex-2-en-1-one
PubChem CID139985457
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name6-triethylsilyloxycyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)OC1CCC=CC1=O
InChIInChI=1S/C12H22O2Si/c1-4-15(5-2,6-3)14-12-10-8-7-9-11(12)13/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyWVSZEPWZPRBHML-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
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 6-triethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 6-triethylsilyloxycyclohex-2-en-1-one (CID 139985457) is 6-triethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 6-triethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 6-triethylsilyloxycyclohex-2-en-1-one is CC[Si](CC)(CC)OC1CCC=CC1=O.
What is the InChIKey of 6-triethylsilyloxycyclohex-2-en-1-one?
The InChIKey is WVSZEPWZPRBHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-4-15(5-2,6-3)14-12-10-8-7-9-11(12)13/h7,9,12H,4-6,8,10H2,1-3H3.
What are the key properties of 6-triethylsilyloxycyclohex-2-en-1-one?
6-triethylsilyloxycyclohex-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 139985457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).