[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane

C17H30OSi — CID 139250260

IUPAC[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC/C2=C/CC/C=C\[C@H]1C2
InChIInChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-16-12-11-14-9-7-6-8-10-15(16)13-14/h8-10,15-16H,6-7,11-13H2,1-5H3/b10-8-,14-9-/t15-,16?/m0/s1
InChIKeyNVAMVYYOWPTLGG-SEASUKNPSA-N
MW278.51 g/mol
LogP5.45
Rot. Bonds2

About [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane

[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane (PubChem CID 139250260) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane
PubChem CID139250260
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC/C2=C/CC/C=C\[C@H]1C2
InChIInChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-16-12-11-14-9-7-6-8-10-15(16)13-14/h8-10,15-16H,6-7,11-13H2,1-5H3/b10-8-,14-9-/t15-,16?/m0/s1
InChIKeyNVAMVYYOWPTLGG-SEASUKNPSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.45
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 [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane (CID 139250260) is [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC/C2=C/CC/C=C\[C@H]1C2.
What is the InChIKey of [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NVAMVYYOWPTLGG-SEASUKNPSA-N. The full InChI is InChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-16-12-11-14-9-7-6-8-10-15(16)13-14/h8-10,15-16H,6-7,11-13H2,1-5H3/b10-8-,14-9-/t15-,16?/m0/s1.
What are the key properties of [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane?
[(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,5Z,7R)-8-bicyclo[5.3.1]undeca-1,5-dienyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 139250260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).