[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane

C12H22O2Si — CID 11746340

IUPAC[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane
SMILESC[C@H]1C(O[Si](C)(C)C)=C[C@]2(C)CC[C@H]1O2
InChIInChI=1S/C12H22O2Si/c1-9-10-6-7-12(2,13-10)8-11(9)14-15(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyHVWLOTVDWSXJQC-FOGDFJRCSA-N
MW226.39 g/mol
LogP3.31
Rot. Bonds2

About [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane

[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane (PubChem CID 11746340) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane
PubChem CID11746340
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane
SMILESC[C@H]1C(O[Si](C)(C)C)=C[C@]2(C)CC[C@H]1O2
InChIInChI=1S/C12H22O2Si/c1-9-10-6-7-12(2,13-10)8-11(9)14-15(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyHVWLOTVDWSXJQC-FOGDFJRCSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.31
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 [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane (CID 11746340) is [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane is C[C@H]1C(O[Si](C)(C)C)=C[C@]2(C)CC[C@H]1O2.
What is the InChIKey of [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane?
The InChIKey is HVWLOTVDWSXJQC-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9-10-6-7-12(2,13-10)8-11(9)14-15(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,12+/m1/s1.
What are the key properties of [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane?
[(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane has a molecular weight of 226.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5R)-1,4-dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 11746340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).