3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one

C14H26O2Si — CID 134966340

IUPAC3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one
SMILESCCC1=CC(=O)CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C14H26O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h11,14H,5-10H2,1-4H3
InChIKeyXOTNBQDWLLUROY-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds6

About 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one

3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one (PubChem CID 134966340) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one
PubChem CID134966340
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one
SMILESCCC1=CC(=O)CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C14H26O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h11,14H,5-10H2,1-4H3
InChIKeyXOTNBQDWLLUROY-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.08
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 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one (CID 134966340) is 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one is CCC1=CC(=O)CCC1O[Si](CC)(CC)CC.
What is the InChIKey of 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one?
The InChIKey is XOTNBQDWLLUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h11,14H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one?
3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-triethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 134966340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).