[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane

C9H17BrOSi — CID 20640824

IUPAC[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1CC=CC[C@H]1Br
InChIInChI=1S/C9H17BrOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeySSYUKEJLSSVXPO-RKDXNWHRSA-N
MW249.22 g/mol
LogP3.32
Rot. Bonds2

About [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane

[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane (PubChem CID 20640824) has the molecular formula C9H17BrOSi and a molecular weight of 249.22 g/mol. Its IUPAC name is [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
PubChem CID20640824
Molecular FormulaC9H17BrOSi
Molecular Weight249.22 g/mol
Exact Mass248.02
IUPAC Name[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1CC=CC[C@H]1Br
InChIInChI=1S/C9H17BrOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeySSYUKEJLSSVXPO-RKDXNWHRSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.32
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,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane (CID 20640824) is [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@@H]1CC=CC[C@H]1Br.
What is the InChIKey of [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane?
The InChIKey is SSYUKEJLSSVXPO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17BrOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane?
[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane has a molecular weight of 249.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 20640824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).