3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one

C13H24O2Si — CID 15660281

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyJXEBBIFJSXPTKK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.89
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one

3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one (PubChem CID 15660281) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
PubChem CID15660281
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyJXEBBIFJSXPTKK-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.89
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-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one (CID 15660281) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one is CC1CC(=O)C=C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one?
The InChIKey is JXEBBIFJSXPTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one?
3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 15660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).