3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one

C13H24O2Si — CID 59733777

IUPAC3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one
SMILESC=C(OCC[Si](C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C13H24O2Si/c1-11(15-8-9-16(2,3)4)12-6-5-7-13(14)10-12/h12H,1,5-10H2,2-4H3
InChIKeyAEZAJLJIUKEBBZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.61
Rot. Bonds5

About 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one

3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one (PubChem CID 59733777) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one
PubChem CID59733777
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one
SMILESC=C(OCC[Si](C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C13H24O2Si/c1-11(15-8-9-16(2,3)4)12-6-5-7-13(14)10-12/h12H,1,5-10H2,2-4H3
InChIKeyAEZAJLJIUKEBBZ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one?
The IUPAC name of 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one (CID 59733777) is 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one?
The canonical SMILES for 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one is C=C(OCC[Si](C)(C)C)C1CCCC(=O)C1.
What is the InChIKey of 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one?
The InChIKey is AEZAJLJIUKEBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11(15-8-9-16(2,3)4)12-6-5-7-13(14)10-12/h12H,1,5-10H2,2-4H3.
What are the key properties of 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one?
3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-trimethylsilylethoxy)ethenyl]cyclohexan-1-one is sourced from PubChem (CID 59733777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).