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

C11H21BrOSi — CID 15372031

IUPAC[(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H]1CC/C=C\CC[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/b5-4-/t10-,11-/m0/s1
InChIKeyRZLKLMXELFRCPK-XXJOZFEBSA-N
MW277.28 g/mol
LogP4.10
Rot. Bonds2

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

[(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane (PubChem CID 15372031) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
PubChem CID15372031
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Name[(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@H]1CC/C=C\CC[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/b5-4-/t10-,11-/m0/s1
InChIKeyRZLKLMXELFRCPK-XXJOZFEBSA-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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Related Compounds

[(1R,4Z,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
CID 11832698
[(4Z)-cyclooct-4-en-1-yl]oxy-trimethylsilane
CID 18541566
[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
CID 20640824
(6-Bromocyclohex-3-en-1-yl)oxy-trimethylsilane
CID 22013157
[(1R,8R)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane
CID 54293921
[(Cyclooct-4-en-1-yl)oxy](trimethyl)silane
CID 68737607
[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948307
[(Z)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948308
[(5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 90956271
18-Bromooctadec-6-en-5-yloxy-tert-butyl-dimethylsilane
CID 173200491
[(Z)-9-bromonon-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11024138
(1Z,5R,6R)-5-bromo-6-methoxycyclooctene
CID 12450400

Frequently Asked Questions

What is the IUPAC name of [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane (CID 15372031) is [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@H]1CC/C=C\CC[C@@H]1Br.
What is the InChIKey of [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
The InChIKey is RZLKLMXELFRCPK-XXJOZFEBSA-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/b5-4-/t10-,11-/m0/s1.
What are the key properties of [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane?
[(1S,4Z,8S)-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 [(1S,4Z,8S)-8-bromocyclooct-4-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 15372031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).