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

C14H24O2Si — CID 14568583

IUPAC2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O2Si/c1-12-7-6-8-14(2,13(12)15)11-16-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyLPQYMZZKTBQBHM-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.43
Rot. Bonds5

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

2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one (PubChem CID 14568583) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
PubChem CID14568583
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O2Si/c1-12-7-6-8-14(2,13(12)15)11-16-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyLPQYMZZKTBQBHM-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.43
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 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one (CID 14568583) is 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one is CC1=CC=CC(C)(COCC[Si](C)(C)C)C1=O.
What is the InChIKey of 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is LPQYMZZKTBQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-12-7-6-8-14(2,13(12)15)11-16-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3.
What are the key properties of 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one?
2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-(2-trimethylsilylethoxymethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 14568583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).