[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane

C13H22OSi — CID 99771830

IUPAC[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane
SMILESC=C[C@@]1(C)[C@H](O[Si](C)(C)C)[C@@H]2CC=C[C@@H]21
InChIInChI=1S/C13H22OSi/c1-6-13(2)11-9-7-8-10(11)12(13)14-15(3,4)5/h6-7,9-12H,1,8H2,2-5H3/t10-,11+,12-,13-/m1/s1
InChIKeyMOWYEHRFZQNBOD-YVECIDJPSA-N
MW222.40 g/mol
LogP3.60
Rot. Bonds3

About [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane

[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane (PubChem CID 99771830) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane
PubChem CID99771830
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane
SMILESC=C[C@@]1(C)[C@H](O[Si](C)(C)C)[C@@H]2CC=C[C@@H]21
InChIInChI=1S/C13H22OSi/c1-6-13(2)11-9-7-8-10(11)12(13)14-15(3,4)5/h6-7,9-12H,1,8H2,2-5H3/t10-,11+,12-,13-/m1/s1
InChIKeyMOWYEHRFZQNBOD-YVECIDJPSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane?
The IUPAC name of [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane (CID 99771830) is [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane is C=C[C@@]1(C)[C@H](O[Si](C)(C)C)[C@@H]2CC=C[C@@H]21.
What is the InChIKey of [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane?
The InChIKey is MOWYEHRFZQNBOD-YVECIDJPSA-N. The full InChI is InChI=1S/C13H22OSi/c1-6-13(2)11-9-7-8-10(11)12(13)14-15(3,4)5/h6-7,9-12H,1,8H2,2-5H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane?
[(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,6R,7R)-7-ethenyl-7-methyl-6-bicyclo[3.2.0]hept-2-enyl]oxy-trimethylsilane is sourced from PubChem (CID 99771830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).