2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

C12H20O3Si — CID 85381844

IUPAC2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)C2(O[Si](C)(C)C)C=CC1O2
InChIInChI=1S/C12H20O3Si/c1-8-10-6-7-12(14-10,9(2)11(8)13)15-16(3,4)5/h6-10H,1-5H3
InChIKeyUTXKZKJTRQBBLA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds2

About 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 85381844) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID85381844
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1C(=O)C(C)C2(O[Si](C)(C)C)C=CC1O2
InChIInChI=1S/C12H20O3Si/c1-8-10-6-7-12(14-10,9(2)11(8)13)15-16(3,4)5/h6-10H,1-5H3
InChIKeyUTXKZKJTRQBBLA-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-2-[2-tri(propan-2-yl)silyloxyethyl]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11393178
(1S,2S,4S,5R)-2,4-diethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134897836
(1S,2S,4S,5R)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10899291
[(1S,2R,4R,5S)-2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-1-yl] 2,2-dimethylpropanoate
CID 10944903
(1S,2R,4R,5S)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11053781
(1R,2S,4S,5S)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11805375
(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 15314968
(1R,2R,4R,5S)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 15371787
(1S,2R,4R,5R)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 15371788
(1R,2S,4S,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 102330879
[(1S,2R,4R,5R)-2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-1-yl] (2S)-2-methylbutanoate
CID 12064196
[(1R,2S,4S,5S)-2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-1-yl] (2S)-2-methylbutanoate
CID 12064197

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 85381844) is 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC1C(=O)C(C)C2(O[Si](C)(C)C)C=CC1O2.
What is the InChIKey of 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is UTXKZKJTRQBBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-8-10-6-7-12(14-10,9(2)11(8)13)15-16(3,4)5/h6-10H,1-5H3.
What are the key properties of 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 240.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 85381844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).