(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

C12H20O3Si — CID 15314968

IUPAC(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@H]2C=C[C@]1(O[Si](C)(C)C)O2
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/t8-,9-,10-,12-/m1/s1
InChIKeyUTXKZKJTRQBBLA-DNRKLUKYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds2

About (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 15314968) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID15314968
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@H]2C=C[C@]1(O[Si](C)(C)C)O2
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/t8-,9-,10-,12-/m1/s1
InChIKeyUTXKZKJTRQBBLA-DNRKLUKYSA-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'}

Analyze (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

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Launch Full Analysis

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,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
(1S,2R,4S,5R)-2,4-diethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12636565

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 15314968) is (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is C[C@@H]1C(=O)[C@H](C)[C@H]2C=C[C@]1(O[Si](C)(C)C)O2.
What is the InChIKey of (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is UTXKZKJTRQBBLA-DNRKLUKYSA-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/t8-,9-,10-,12-/m1/s1.
What are the key properties of (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,2R,4R,5R)-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 (1R,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 15314968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).