2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one

C15H26O2Si — CID 14568589

IUPAC2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC(C)(COCC[Si](C)(C)C)C(=O)C(C)=C1
InChIInChI=1S/C15H26O2Si/c1-12-9-13(2)14(16)15(3,10-12)11-17-7-8-18(4,5)6/h9-10H,7-8,11H2,1-6H3
InChIKeyYBFSRIQYUJIHCE-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.82
Rot. Bonds5

About 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one

2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one (PubChem CID 14568589) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
PubChem CID14568589
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC(C)(COCC[Si](C)(C)C)C(=O)C(C)=C1
InChIInChI=1S/C15H26O2Si/c1-12-9-13(2)14(16)15(3,10-12)11-17-7-8-18(4,5)6/h9-10H,7-8,11H2,1-6H3
InChIKeyYBFSRIQYUJIHCE-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one (CID 14568589) is 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one is CC1=CC(C)(COCC[Si](C)(C)C)C(=O)C(C)=C1.
What is the InChIKey of 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is YBFSRIQYUJIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-12-9-13(2)14(16)15(3,10-12)11-17-7-8-18(4,5)6/h9-10H,7-8,11H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 266.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 14568589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).