[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

C12H24OSi — CID 139263687

IUPAC[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESCC[C@H]1CC[C@@H](O[Si](C)(C)C)[C@@H]2C[C@H]12
InChIInChI=1S/C12H24OSi/c1-5-9-6-7-12(11-8-10(9)11)13-14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+/m0/s1
InChIKeyAVYGDXICUKDFMK-IRCOFANPSA-N
MW212.41 g/mol
LogP3.66
Rot. Bonds3

About [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (PubChem CID 139263687) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
PubChem CID139263687
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESCC[C@H]1CC[C@@H](O[Si](C)(C)C)[C@@H]2C[C@H]12
InChIInChI=1S/C12H24OSi/c1-5-9-6-7-12(11-8-10(9)11)13-14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+/m0/s1
InChIKeyAVYGDXICUKDFMK-IRCOFANPSA-N
XLogP3.66
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 ≤ 53.66
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 [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (CID 139263687) is [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is CC[C@H]1CC[C@@H](O[Si](C)(C)C)[C@@H]2C[C@H]12.
What is the InChIKey of [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The InChIKey is AVYGDXICUKDFMK-IRCOFANPSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-9-6-7-12(11-8-10(9)11)13-14(2,3)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
[(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S,6R)-5-ethyl-2-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is sourced from PubChem (CID 139263687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).