[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane

C11H21BrOSi — CID 54293921

IUPAC[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1CCC=CCC[C@H]1Br
InChIInChI=1S/C11H21BrOSi/c1-14(2,3)13-11-9-7-5-4-6-8-10(11)12/h4-5,10-11H,6-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyRZLKLMXELFRCPK-GHMZBOCLSA-N
MW277.28 g/mol
LogP4.10
Rot. Bonds2

About [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane

[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane (PubChem CID 54293921) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
PubChem CID54293921
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Name[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1CCC=CCC[C@H]1Br
InChIInChI=1S/C11H21BrOSi/c1-14(2,3)13-11-9-7-5-4-6-8-10(11)12/h4-5,10-11H,6-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyRZLKLMXELFRCPK-GHMZBOCLSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane (CID 54293921) is [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@@H]1CCC=CCC[C@H]1Br.
What is the InChIKey of [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The InChIKey is RZLKLMXELFRCPK-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21BrOSi/c1-14(2,3)13-11-9-7-5-4-6-8-10(11)12/h4-5,10-11H,6-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane has a molecular weight of 277.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 54293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).