[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

C12H24OSi — CID 10910862

IUPAC[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESCC[C@H]1CCC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C12H24OSi/c1-5-10-7-6-8-12(9-11(10)12)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyILMUFKDZISKDNY-TUAOUCFPSA-N
MW212.41 g/mol
LogP3.81
Rot. Bonds3

About [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (PubChem CID 10910862) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
PubChem CID10910862
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESCC[C@H]1CCC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C12H24OSi/c1-5-10-7-6-8-12(9-11(10)12)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyILMUFKDZISKDNY-TUAOUCFPSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The IUPAC name of [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (CID 10910862) is [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is CC[C@H]1CCC[C@]2(O[Si](C)(C)C)C[C@H]12.
What is the InChIKey of [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The InChIKey is ILMUFKDZISKDNY-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-10-7-6-8-12(9-11(10)12)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
[(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R)-5-ethyl-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is sourced from PubChem (CID 10910862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).